@prefix : . @prefix isq: . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . @prefix emmo: . @prefix rdfs: . @prefix skos: . @prefix dcterms: . @base . rdf:type owl:Ontology ; owl:versionIRI ; owl:imports , ; dcterms:abstract """A toplevel crystallography ontology based on EMMO and the CIF core dictionary. It is implemented as a formal language.""" ; dcterms:license "Creative Commons BY 4.0" . ################################################################# # Annotation properties ################################################################# ### http://emmo.info/domain-crystallography/crystallography#EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 rdf:type owl:AnnotationProperty ; rdfs:comment """Label of corresponding entity in the core CIF dictionary. See https://www.iucr.org/resources/cif/dictionaries/cif_core""" ; skos:prefLabel "cifLabel"@en ; rdfs:subPropertyOf rdfs:comment . ### http://emmo.info/domain-crystallography/crystallography#EMMO_ece80b49_c611_4626_965f_5beb93159c7e :EMMO_ece80b49_c611_4626_965f_5beb93159c7e rdf:type owl:AnnotationProperty ; rdfs:comment """URL to corresponding entity in the core CIF dictionary. See https://www.iucr.org/resources/cif/dictionaries/cif_core""" ; skos:prefLabel "cifMatch"@en ; rdfs:subPropertyOf rdfs:seeAlso . ### http://emmo.info/emmo#EMMO_21ae69b4_235e_479d_8dd8_4f756f694c1b emmo:EMMO_21ae69b4_235e_479d_8dd8_4f756f694c1b rdf:type owl:AnnotationProperty . ### http://emmo.info/emmo#EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 rdf:type owl:AnnotationProperty . ### http://emmo.info/emmo#EMMO_b432d2d5_25f4_4165_99c5_5935a7763c1a emmo:EMMO_b432d2d5_25f4_4165_99c5_5935a7763c1a rdf:type owl:AnnotationProperty . ### http://emmo.info/emmo#EMMO_de178b12_5d35_4bca_8efa_a4193162571d emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d rdf:type owl:AnnotationProperty . ### http://emmo.info/emmo#EMMO_fe015383_afb3_44a6_ae86_043628697aa2 emmo:EMMO_fe015383_afb3_44a6_ae86_043628697aa2 rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/abstract dcterms:abstract rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/license dcterms:license rdf:type owl:AnnotationProperty . ### http://www.w3.org/2002/07/owl#qualifiedCardinality owl:qualifiedCardinality rdf:type owl:AnnotationProperty . ################################################################# # Object Properties ################################################################# ### http://emmo.info/emmo#EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 rdf:type owl:ObjectProperty . ### http://emmo.info/emmo#EMMO_9380ab64_0363_4804_b13f_3a8a94119a76 emmo:EMMO_9380ab64_0363_4804_b13f_3a8a94119a76 rdf:type owl:ObjectProperty . ### http://emmo.info/emmo#EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe rdf:type owl:ObjectProperty . ### http://emmo.info/emmo#EMMO_e1097637_70d2_4895_973f_2396f04fa204 emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 rdf:type owl:ObjectProperty . ### http://emmo.info/emmo#EMMO_f68030be_94b8_4c61_a161_886468558054 ################################################################# # Data properties ################################################################# ### http://emmo.info/emmo#EMMO_23b579e1_8088_45b5_9975_064014026c42 emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 rdf:type owl:DatatypeProperty . ################################################################# # Classes ################################################################# ### http://emmo.info/domain-crystallography/cif_top#CIF rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 . ### http://emmo.info/domain-crystallography/crystallography#EMMO_203692d9_4bf0_45ae_b4eb_9dc02adae605 :EMMO_203692d9_4bf0_45ae_b4eb_9dc02adae605 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_9fa966c7_5231_409e_841f_b4c5fd33732a ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The union of Atom and Molecule." ; rdfs:comment "The word \"constituent\" means part of a whole. Within the crystallography domain, constituents are defined as the real-world building blocks of a crystal (i.e. atoms or molecules)." ; skos:prefLabel "Constituent"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_216efd86_d095_49db_bc74_c9f808577940 :EMMO_216efd86_d095_49db_bc74_c9f808577940 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_faab3f84_e475_4a46_af9c_7d249f0b9aef , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_fract_y" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_fract_.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Fractional position of a site along the b direction." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "FractionalPositionB"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_290e4378_2cab_4d78_bc40_a08a84af4f76 :EMMO_290e4378_2cab_4d78_bc40_a08a84af4f76 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_f3dd74c0_f480_49e8_9764_33b78638c235 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_angle_beta" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The angle between lattice vectors `a` and `c`, where lattice vectors `a`, `b` and `c` defines the unit cell," ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeParameterBeta"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_35e0d181_d10b_45b8_9f8b_c12a56ae45e6 :EMMO_35e0d181_d10b_45b8_9f8b_c12a56ae45e6 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_cd2cd0de_e0cc_4ef1_b27e_2e88db027bac , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_length_a" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The length of lattice vectors `a`, where lattice vectors `a`, `b` and `c` defines the unit cell," ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L+1 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeParameterA"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_43b8c657_3fbf_4613_9fb3_0f3a377711a7 :EMMO_43b8c657_3fbf_4613_9fb3_0f3a377711a7 rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "hexagonal" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A crystal system with 1 sixfold axes of rotation."@en ; skos:prefLabel "Hexagonal"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_49cbd126_1722_436e_a4bd_3363d141bb37 :EMMO_49cbd126_1722_436e_a4bd_3363d141bb37 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_faab3f84_e475_4a46_af9c_7d249f0b9aef , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_occupancy" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The occupancy of a site. Must be a number between zero and one." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "Occupancy"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_4f586c18_897b_4568_94b8_3960592c1438 :EMMO_4f586c18_897b_4568_94b8_3960592c1438 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_f3dd74c0_f480_49e8_9764_33b78638c235 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_angle_alpha" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The angle between lattice vectors `b` and `c`, where lattice vectors `a`, `b` and `c` defines the unit cell," ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeParameterAlpha"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_5ab885af_eff7_4cc7_954c_cf107c54735b :EMMO_5ab885af_eff7_4cc7_954c_cf107c54735b rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_ba882f34_0d71_4e4f_9d92_0c076c633a2c , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_f8bd64d5_5d3e_4ad4_a46e_c30714fecb7f ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_site_symmetry_multiplicity" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The number of different sites that are generated by the application of the space-group symmetry to the coordinates given for this site." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "SymmetryMultiplicity"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_6028825a_008a_4163_96fb_0af1bdc15695 :EMMO_6028825a_008a_4163_96fb_0af1bdc15695 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 emmo:EMMO_a1083d0a_c1fb_471f_8e20_a98f881ad527 ) ; rdf:type owl:Class ] ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_9380ab64_0363_4804_b13f_3a8a94119a76 ; owl:allValuesFrom [ rdf:type owl:Class ; owl:complementOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 ] ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A symbol that stands for a crystallographical concept in the language of the crystallographical domain." ; skos:prefLabel "CrystallographicSymbol"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_69dab453_6596_464d_a21d_d64643f4ed9b :EMMO_69dab453_6596_464d_a21d_d64643f4ed9b rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_a2b006f2_bbfd_4dba_bcaa_3fca20cd6be1 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_f68030be_94b8_4c61_a161_886468558054 ; owl:someValuesFrom :EMMO_203692d9_4bf0_45ae_b4eb_9dc02adae605 ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A crystal is a solid whos constituents are ordered." ; skos:prefLabel "Crystal"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_6a340d67_c6cb_4348_8537_d9aa0e768721 :EMMO_6a340d67_c6cb_4348_8537_d9aa0e768721 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:someValuesFrom :EMMO_ea30edf8_be85_4b92_a649_1cedb3bab550 ] , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:allValuesFrom :EMMO_69dab453_6596_464d_a21d_d64643f4ed9b ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_79c5bbf6_7429_44c6_a70d_0d3c461b6375 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The crystal structure describes of the ordered arrangement of species in a crystal." ; skos:prefLabel "CrystalStructure"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_6b5e88c8_0d54_4a02_a9ff_6958f6013e0e :EMMO_6b5e88c8_0d54_4a02_a9ff_6958f6013e0e rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_44da6d75_54a4_4aa8_bd3a_156f6e9abb8e ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A vector connecting two lattice sites, where the lattice sites defines the periodic structure of a crystal." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L+1 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeVector"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_6c4a12db_98bd_4dd8_bb90_8801096b5fd0 :EMMO_6c4a12db_98bd_4dd8_bb90_8801096b5fd0 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_ba882f34_0d71_4e4f_9d92_0c076c633a2c , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_f8bd64d5_5d3e_4ad4_a46e_c30714fecb7f ] , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:allValuesFrom :EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_space_group_IT_number" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_IT_number.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A number between 1 and 230 that uniquely identifies the space group." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; rdfs:comment "Even though the spacegroups are unique, it is possible to choose the origin and basis differently resulting in different settings." ; skos:prefLabel "SpacegroupNumber"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_6d9fe189_71fb_4af7_a991_a028bb90f18b :EMMO_6d9fe189_71fb_4af7_a991_a028bb90f18b rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "trigonal" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A crystal system with 1 threefold axes of rotation."@en ; skos:prefLabel "Trigonal"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_d8d2144e_5c8d_455d_a643_5caf4d8d9df8 ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The symbolic object defining the basis for crystallography." ; skos:prefLabel "Crystallographical"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_79c5bbf6_7429_44c6_a70d_0d3c461b6375 :EMMO_79c5bbf6_7429_44c6_a70d_0d3c461b6375 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:someValuesFrom :EMMO_971a2a1d_d923_47ac_9315_2187e7594542 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_6b5e88c8_0d54_4a02_a9ff_6958f6013e0e ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:qualifiedCardinality "6"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_e7aa6a92_c28d_457c_be2c_0ac16c8306c0 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_[]" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A periodic unit in a crystal structure. It is spanned by three lattice vectors." ; rdfs:comment "A unit cell is ca be described by either specifying the three lattice vectors that it is spanned by, or by 6 the lattice parameters (the length of and angles between the 3 lattice vectors)."@en ; skos:prefLabel "UnitCell"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_7d6d49ac_18d2_4c98_b16d_621877272989 :EMMO_7d6d49ac_18d2_4c98_b16d_621877272989 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_cd2cd0de_e0cc_4ef1_b27e_2e88db027bac , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_length_b" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The length of lattice vectors `b`, where lattice vectors `a`, `b` and `c` defines the unit cell," ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L+1 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeParameterB"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_8411829d_faba_479a_8d37_d961dc41c9ce :EMMO_8411829d_faba_479a_8d37_d961dc41c9ce rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_1cba0b27_15d0_4326_933f_379d0b3565b6 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "3"^^xsd:nonNegativeInteger ; owl:onClass emmo:EMMO_2ff07b07_c447_490f_903a_f6a72a12d7bf ] ; skos:prefLabel "Shape3x3Matrix"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_931eb95d_d8ee_41c4_93ae_3d22df839bce :EMMO_931eb95d_d8ee_41c4_93ae_3d22df839bce rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:someValuesFrom :EMMO_c70c483e_8e3c_4fd4_97eb_bf9ae3981a01 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_space_group_symop_operation_xyz" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A parsable string giving one of the symmetry operations of the space group in algebraic form."@en ; emmo:EMMO_b432d2d5_25f4_4165_99c5_5935a7763c1a "x,1/2-y,1/2+z"@en ; rdfs:comment """If W is a matrix representation of the rotational part of the symmetry operation defined by the positions and signs of x, y and z, and w is a column of translations defined by fractions, an equivalent position X' is generated from a given position X by the equation X' = W X + w"""@en , """When a list of symmetry operations is given, it must contain a complete set of coordinate representatives which generates all the operations of the space group by the addition of all primitive translations of the space group. Such representatives are to be found as the coordinates of the general-equivalent position in International Tables for Crystallography Vol. A (2002), to which it is necessary to add any centring translations shown above the general-equivalent position. That is to say, it is necessary to list explicitly all the symmetry operations required to generate all the atoms in the unit cell defined by the setting used."""@en ; skos:prefLabel "SymmetryOperationString"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_971a2a1d_d923_47ac_9315_2187e7594542 :EMMO_971a2a1d_d923_47ac_9315_2187e7594542 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_f1a51559_aa3d_43a0_9327_918039f0dfed ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_volume" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Volume of the unit cell."@en ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L+3 M0 I0 Θ0 N0 J0" ; skos:prefLabel "CellVolume"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_97fae38b_87db_4cc2_9b06_87df1ec09c84 :EMMO_97fae38b_87db_4cc2_9b06_87df1ec09c84 rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "triclinic" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A crystal system with no symmetry axis."@en ; skos:prefLabel "Triclinic"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_987e01f4_da01_4e15_9620_e3c814a48e64 :EMMO_987e01f4_da01_4e15_9620_e3c814a48e64 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_cd2cd0de_e0cc_4ef1_b27e_2e88db027bac , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_length_c" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The length of lattice vectors `c`, where lattice vectors `a`, `b` and `c` defines the unit cell," ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L+1 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeParameterC"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_9bb4432f_b2b5_4de5_9a54_27c427062f76 :EMMO_9bb4432f_b2b5_4de5_9a54_27c427062f76 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_ba882f34_0d71_4e4f_9d92_0c076c633a2c , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_f8bd64d5_5d3e_4ad4_a46e_c30714fecb7f ] , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:allValuesFrom :EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A number that stands for the space group setting, i.e. the choice of origin (and basis)."@en ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; rdfs:comment """Typically the space group setting is represented as \"1\" for the standard setting and \"2\" for the alternative setting. The setting number does not appear in the CIF core dictionary, but is included in International Tables. The CIF core dictionary recommends usint the '_space_group_crystal_system' instead."""@en ; skos:prefLabel "SpacegroupSettingNumber"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_a83504f1_b203_40f9_9379_23f0c0b61be0 :EMMO_a83504f1_b203_40f9_9379_23f0c0b61be0 rdf:type owl:Class ; rdfs:subClassOf :EMMO_6028825a_008a_4163_96fb_0af1bdc15695 , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:someValuesFrom :EMMO_203692d9_4bf0_45ae_b4eb_9dc02adae605 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_label" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_label.html" ; emmo:EMMO_21ae69b4_235e_479d_8dd8_4f756f694c1b "ChemicalSpecies"@en ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A symbol that stands for a constituent." ; emmo:EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "http://goldbook.iupac.org/terms/view/CT01038" ; rdfs:comment "A chemical species is a well defined set of one or more atoms/ions. The chemical species can be atom, molecule, ion, radical, and it has a chemical name and chemical formula. The chemical species are associated to the crystalline site in a structure. Note that two otherwise identical molecules with differing orientation in the unit cell will be considered two different species." ; skos:prefLabel "Species"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_afd5401b_0b6d_4c4d_8559_e84473cc08ec :EMMO_afd5401b_0b6d_4c4d_8559_e84473cc08ec rdf:type owl:Class ; rdfs:subClassOf :EMMO_6028825a_008a_4163_96fb_0af1bdc15695 ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_label" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A unique identifier for a particular site in the crystal."@en ; skos:prefLabel "SiteLabel"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_b2b8e17f_c6d0_4bdf_94f8_ebf7870df669 :EMMO_b2b8e17f_c6d0_4bdf_94f8_ebf7870df669 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_faab3f84_e475_4a46_af9c_7d249f0b9aef , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_fract_x" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_fract_.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Fractional position of a site along the a direction." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "FractionalPositionA"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_b5a8a6b3_ffd7_4783_a097_098d47a225c5 :EMMO_b5a8a6b3_ffd7_4783_a097_098d47a225c5 rdf:type owl:Class ; rdfs:subClassOf :EMMO_8411829d_faba_479a_8d37_d961dc41c9ce ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A rotation matrix."@en ; rdfs:comment "The determinant of a rotation matrix is one."@en ; skos:prefLabel "RotationMatrix"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_b7bc9c85_801b_44c8_a7ad_fe8a52b593c4 :EMMO_b7bc9c85_801b_44c8_a7ad_fe8a52b593c4 rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "cubic" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A crystal system with 4 threefold axes of rotation."@en ; skos:prefLabel "Cubic"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_bb8a0a34_25dd_4262_b264_8750f6acc2b8 :EMMO_bb8a0a34_25dd_4262_b264_8750f6acc2b8 rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "tetragonal" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A crystal system with 1 fourfold axes of rotation."@en ; skos:prefLabel "Tetragonal"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_bf4315d5_0a42_44c1_917e_9057789ea798 :EMMO_bf4315d5_0a42_44c1_917e_9057789ea798 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_2ff07b07_c447_490f_903a_f6a72a12d7bf ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A translation vector."@en ; skos:prefLabel "TranslationVector"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_c70c483e_8e3c_4fd4_97eb_bf9ae3981a01 :EMMO_c70c483e_8e3c_4fd4_97eb_bf9ae3981a01 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_54ee6b5e_5261_44a8_86eb_5717e7fdb9d0 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_b5a8a6b3_ffd7_4783_a097_098d47a225c5 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_bf4315d5_0a42_44c1_917e_9057789ea798 ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 """A symmetry operation is an action that leaves an object looking the same after it has been carried out. Mathematically it is described by a rotation followed by a translation."""@en ; emmo:EMMO_b432d2d5_25f4_4165_99c5_5935a7763c1a "For example, if we take a molecule of water and rotate it by 180° about an axis passing through the central O atom (between the two H atoms) it will look the same as before." ; skos:prefLabel "SymmetryOperation"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_cd9c28a0_9453_494c_b45e_27eaf3d785e7 :EMMO_cd9c28a0_9453_494c_b45e_27eaf3d785e7 rdf:type owl:Class ; rdfs:subClassOf emmo:EMMO_faab3f84_e475_4a46_af9c_7d249f0b9aef , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_2ff07b07_c447_490f_903a_f6a72a12d7bf ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_216efd86_d095_49db_bc74_c9f808577940 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_b2b8e17f_c6d0_4bdf_94f8_ebf7870df669 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_e2a89e11_0cab_40c6_9e0b_a391585255c6 ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A position expressed in fractional coordinates with respect to an origin and three spatial vectors." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "FractionalPosition"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_d24f1b42_2767_4096_900b_bf7c9608c7de :EMMO_d24f1b42_2767_4096_900b_bf7c9608c7de rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "orthorhombic" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 """A crystal system with 3 twofold axes of rotation or 1 twofold axis of rotation and 2 mirror planes."""@en ; skos:prefLabel "Orthorhombic"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_d6ea1aa1_fe6e_4fbb_bfad_e848fb02a969 :EMMO_d6ea1aa1_fe6e_4fbb_bfad_e848fb02a969 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_f3dd74c0_f480_49e8_9764_33b78638c235 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_cell_angle_gamma" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The angle between lattice vectors `a` and `b`, where lattice vectors `a`, `b` and `c` defines the unit cell," ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "LatticeParameterGamma"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_e2a89e11_0cab_40c6_9e0b_a391585255c6 :EMMO_e2a89e11_0cab_40c6_9e0b_a391585255c6 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , emmo:EMMO_faab3f84_e475_4a46_af9c_7d249f0b9aef , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_8ef3cd6d_ae58_4a8d_9fc0_ad8f49015cd0 ; owl:someValuesFrom emmo:EMMO_18d180e4_5e3e_42f7_820c_e08951223486 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_fract_z" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_fract_.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Fractional position of a site along the c direction." ; emmo:EMMO_de178b12_5d35_4bca_8efa_a4193162571d "T0 L0 M0 I0 Θ0 N0 J0" ; skos:prefLabel "FractionalPositionC"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_e30a1c29_783b_45eb_ac06_1e54f99a2eb9 :EMMO_e30a1c29_783b_45eb_ac06_1e54f99a2eb9 rdf:type owl:Class ; rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_23b579e1_8088_45b5_9975_064014026c42 ; owl:hasValue "monoclinic" ] ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 """A crystal system with 1 twofold axes of rotation or 1 mirror plane."""@en ; skos:prefLabel "Monoclinic"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_e3b30772_419b_49f4_a401_7f536bd4c9e6 :EMMO_e3b30772_419b_49f4_a401_7f536bd4c9e6 rdf:type owl:Class ; rdfs:subClassOf :EMMO_6028825a_008a_4163_96fb_0af1bdc15695 , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:allValuesFrom :EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_space_group_name_Hall" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 """A symbol that uniquely defines the space group and its reference to a particular coordinate system. References: - Hall, S. R. (1981). Acta Cryst. A37, 517-525; erratum (1981), A37, 921. - International Tables for Crystallography, Vol. B (2001), Chapter 1.4, Appendix 1.4.2""" ; rdfs:seeAlso "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_name_Hall.html" ; skos:prefLabel "HallSymbol"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_e7aa6a92_c28d_457c_be2c_0ac16c8306c0 :EMMO_e7aa6a92_c28d_457c_be2c_0ac16c8306c0 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 ; owl:disjointUnionOf ( :EMMO_290e4378_2cab_4d78_bc40_a08a84af4f76 :EMMO_35e0d181_d10b_45b8_9f8b_c12a56ae45e6 :EMMO_4f586c18_897b_4568_94b8_3960592c1438 :EMMO_7d6d49ac_18d2_4c98_b16d_621877272989 :EMMO_987e01f4_da01_4e15_9620_e3c814a48e64 :EMMO_d6ea1aa1_fe6e_4fbb_bfad_e848fb02a969 ) ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The 6 parameters defining the unit cell; a, b, c, alpha, beta, gamma, where a, b, c are the lengths of the 3 lattice vectors spanning the unit cell and alpha, beta, gamma are the angles between them."@en ; skos:prefLabel "LatticeParameter"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_ea30edf8_be85_4b92_a649_1cedb3bab550 :EMMO_ea30edf8_be85_4b92_a649_1cedb3bab550 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_49cbd126_1722_436e_a4bd_3363d141bb37 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_5ab885af_eff7_4cc7_954c_cf107c54735b ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_a83504f1_b203_40f9_9379_23f0c0b61be0 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_afd5401b_0b6d_4c4d_8559_e84473cc08ec ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_cd9c28a0_9453_494c_b45e_27eaf3d785e7 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; owl:onClass :EMMO_f12310ea_4957_49cb_8ff0_1d13849de166 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_[]" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A site within a unit cell related to the position of a species." ; skos:prefLabel "Site"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 :EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:someValuesFrom :EMMO_931eb95d_d8ee_41c4_93ae_3d22df839bce ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:someValuesFrom :EMMO_6c4a12db_98bd_4dd8_bb90_8801096b5fd0 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:someValuesFrom :EMMO_9bb4432f_b2b5_4de5_9a54_27c427062f76 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:someValuesFrom :EMMO_e3b30772_419b_49f4_a401_7f536bd4c9e6 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:someValuesFrom :EMMO_f3295691_a01e_4454_a40e_35903ad93485 ] , [ rdf:type owl:Restriction ; owl:onProperty emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ; owl:someValuesFrom :EMMO_fd642120_d36d_4e3b_bdf2_2cd9acb4995c ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_space_group_[]" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The symmetry group that represents the symmetry of a crystal, in terms of the set of all its symmetry operations."@en ; rdfs:comment """A spacegroup is commonly identified by its number as given in International Tables for Crystallography Vol. A. Specific settings of the space groups can be identified either by their Hall symbol or by specifying their symmetry operations. Specific settings listed in International Tables for Crystallography Vol. A, may also be specified by specifying the setting number in combination with the space group number or Hermann-Mauguin symbol. The commonly used Hermann-Mauguin symbol determines the space-group type uniquely but several different Hermann-Mauguin symbols may refer to the same space-group type. A Hermann-Mauguin symbol contains information on the choice of the basis, but not on the choice of origin. Different formats for the Hermann-Mauguin symbol are found in the symmetry CIF dictionary."""@en ; skos:prefLabel "Spacegroup"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_f12310ea_4957_49cb_8ff0_1d13849de166 :EMMO_f12310ea_4957_49cb_8ff0_1d13849de166 rdf:type owl:Class ; rdfs:subClassOf :EMMO_6028825a_008a_4163_96fb_0af1bdc15695 , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:allValuesFrom :EMMO_ea30edf8_be85_4b92_a649_1cedb3bab550 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_atom_site_Wyckoff_symbol" ; :EMMO_ece80b49_c611_4626_965f_5beb93159c7e "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_Wyckoff_symbol.html" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The Wyckoff symbol (letter) as listed in the space-group tables of International Tables for Crystallography Vol. A (2002)." ; skos:prefLabel "WyckoffSymbol"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_f3295691_a01e_4454_a40e_35903ad93485 :EMMO_f3295691_a01e_4454_a40e_35903ad93485 rdf:type owl:Class ; rdfs:subClassOf :EMMO_6028825a_008a_4163_96fb_0af1bdc15695 , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf emmo:EMMO_e1097637_70d2_4895_973f_2396f04fa204 ] ; owl:allValuesFrom :EMMO_f03acd96_b5ba_4921_9ae7_80e76d27e853 ] ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_space_group_name_H-M_alt" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A symbol that uniquely determines the space group." ; rdfs:comment "Note that a given spacegroup may be described by more than one Hermann Mauguin symbol. Spacegroups are therefore best described by spacegroup number." , "The Hermann-Mauguin symbol may contain information on the choice of basis, but not on the choice of origin. To define the setting uniquely, use _space_group_name_Hall or list the symmetry operations." ; skos:prefLabel "HermannMauguinSymbol"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_fcd69e5c_cc4a_4db8_b157_3f437c3cfdff :EMMO_fcd69e5c_cc4a_4db8_b157_3f437c3cfdff rdf:type owl:Class ; rdfs:subClassOf :EMMO_79c5bbf6_7429_44c6_a70d_0d3c461b6375 ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The smallest unit cell that contains the same point group symmetries as the overall lattice."@en ; rdfs:comment "The conventional unit cell is the one that is referred to in International Tables for Crystallography vol. A."@en ; skos:prefLabel "ConventionalUnitCell"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_fd642120_d36d_4e3b_bdf2_2cd9acb4995c :EMMO_fd642120_d36d_4e3b_bdf2_2cd9acb4995c rdf:type owl:Class ; rdfs:subClassOf :EMMO_78a3d6f9_0bbd_4b44_a9a9_baf3df276a06 ; owl:disjointUnionOf ( :EMMO_43b8c657_3fbf_4613_9fb3_0f3a377711a7 :EMMO_6d9fe189_71fb_4af7_a991_a028bb90f18b :EMMO_97fae38b_87db_4cc2_9b06_87df1ec09c84 :EMMO_b7bc9c85_801b_44c8_a7ad_fe8a52b593c4 :EMMO_bb8a0a34_25dd_4262_b264_8750f6acc2b8 :EMMO_d24f1b42_2767_4096_900b_bf7c9608c7de :EMMO_e30a1c29_783b_45eb_ac06_1e54f99a2eb9 ) ; :EMMO_eb6c14cd_f958_489a_8f1a_e9de7c056702 "_space_group_crystal_system" ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The name of the system of geometric crystal classes of space groups (crystal system) to which the space group belongs."@en ; rdfs:comment "There are 7 crystal systems."@en ; skos:prefLabel "CrystalSystem"@en . ### http://emmo.info/domain-crystallography/crystallography#EMMO_fdfa5395_9c32_4a7b_a15a_f6fa015662d4 :EMMO_fdfa5395_9c32_4a7b_a15a_f6fa015662d4 rdf:type owl:Class ; rdfs:subClassOf :EMMO_79c5bbf6_7429_44c6_a70d_0d3c461b6375 ; emmo:EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A unit cell that contains exactly one lattice point. 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