LMucko/crystallography-open-database huggingface dataset:
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002278
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.986 S2 V0.336'
_chemical_name_systematic        '(V0.133 Cr0.189) (V0.203 Cr0.797) S2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   5.91079
_cell_length_b                   5.91079
_cell_length_c                   16.7829
_cell_volume                     507.795
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1035.cif
_cod_data_source_block           Cr0.986S2V0.336
_cod_original_cell_volume        507.7953
_cod_database_code               4002278
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002279
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.943 S2 V0.427'
_chemical_name_systematic        '(V0.187 Cr0.183) (V0.24 Cr0.76) S2'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.908
_cell_length_b                   5.908
_cell_length_c                   11.2254
_cell_volume                     339.323
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1036.cif
_cod_data_source_block           Cr0.943S2V0.427
_cod_original_cell_volume        339.3231
_cod_database_code               4002279
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002280
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.976 S2 V0.524'
_chemical_name_systematic        '(V0.239 Cr0.261) (V0.285 Cr0.715) S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.573
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9449
_cell_length_b                   3.3834
_cell_length_c                   11.2263
_cell_volume                     225.720
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1037.cif
_cod_data_source_block           Cr0.976S2V0.524
_cod_original_cell_volume        225.7204
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               4002280
Mechanismen der Phasentransformation des K (P O3) und die Struktur der Hoechsttemperatur Modifikation des K (P O3)
Jost, K.H.; Schulze, H.J.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1345–1353; doi:

data_2106068
_publ_section_title
;
 Mechanismen der Phasentransformation des K (P O3) und die Struktur der
 Hoechsttemperatur Modifikation des K (P O3)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1345
_journal_page_last               1353
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'K O3 P'
_chemical_name_systematic        'K (P O3)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.94
_cell_length_b                   4.54
_cell_length_c                   5.92
_cell_volume                     347.786
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jost_ACBCAR_1971_1992.cif
_cod_data_source_block           K1O3P1
_cod_original_cell_volume        347.7858
_cod_original_sg_symbol_Hall     '-C 2c 2 (y,z,x)'
_cod_original_formula_sum        'K1 O3 P1'
_cod_database_code               2106068
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002281
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.941 S2 V0.578'
_chemical_name_systematic        '(V0.252 Cr0.267) (V0.326 Cr0.674) S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.68
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9461
_cell_length_b                   3.3773
_cell_length_c                   11.2353
_cell_volume                     225.528
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1038.cif
_cod_data_source_block           Cr0.941S2V0.578
_cod_original_cell_volume        225.5277
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               4002281
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002282
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.963 S2 V0.606'
_chemical_name_systematic        '(V0.256 Cr0.313) (V0.35 Cr0.65) S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.31
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9536
_cell_length_b                   3.3942
_cell_length_c                   11.331
_cell_volume                     228.914
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1039.cif
_cod_data_source_block           Cr0.963S2V0.606
_cod_original_cell_volume        228.9137
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               4002282
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002283
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.981 S2 V0.627'
_chemical_name_systematic        '(V0.258 Cr0.350) (V0.369 Cr0.631) S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.127
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9574
_cell_length_b                   3.4009
_cell_length_c                   11.3825
_cell_volume                     230.571
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1040.cif
_cod_data_source_block           Cr0.981S2V0.627
_cod_original_cell_volume        230.5708
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               4002283
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002284
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.968 S2 V0.671'
_chemical_name_systematic        '(V0.283 Cr0.356) (V0.388 Cr0.612) S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.995
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9562
_cell_length_b                   3.40467
_cell_length_c                   11.412
_cell_volume                     231.388
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1041.cif
_cod_data_source_block           Cr0.968S2V0.671
_cod_original_cell_volume        231.3879
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               4002284
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002285
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.969 S2 V0.735'
_chemical_name_systematic        '(V0.305 Cr0.399) (V0.43 Cr0.57) S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.62
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9511
_cell_length_b                   3.4163
_cell_length_c                   11.4716
_cell_volume                     233.212
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1042.cif
_cod_data_source_block           Cr0.969S2V0.735
_cod_original_cell_volume        233.2125
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               4002285
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002286
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.955 S2 V0.755'
_chemical_name_systematic        '(V0.29 Cr0.42) (V0.465 Cr0.535) S2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   6.85625
_cell_length_b                   6.85625
_cell_length_c                   17.2504
_cell_volume                     702.268
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1043.cif
_cod_data_source_block           Cr0.955S2V0.755
_cod_original_cell_volume        702.2683
_cod_database_code               4002286
Structures and properties of new ordered defect phases in the vanadium chromium sulfide system
Vaqueiro, P.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 2705–2714; doi:

data_4002287
_publ_section_title
;
 Structures and properties of new ordered defect phases in the vanadium
 chromium sulfide system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2705
_journal_page_last               2714
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr0.968 S2 V0.812'
_chemical_name_systematic        'V0.812 Cr0.968 S2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.43854
_cell_length_b                   3.43854
_cell_length_c                   5.7966
_cell_volume                     59.354
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_1044.cif
_cod_data_source_block           Cr0.968S2V0.812
_cod_original_cell_volume        59.35429
_cod_database_code               4002287
Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide
Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 1034–1041; doi:

data_4002288
_publ_section_title
;
 Structural, magnetic, and electronic properties of vanadium-substituted
 nickel chromium sulfide
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1034
_journal_page_last               1041
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr1.4 Ni S4 V0.6'
_chemical_name_systematic        'Ni Cr1.4 V0.6 S4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.8653
_cell_length_b                   3.3712
_cell_length_c                   11.061
_cell_volume                     218.616
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_998.cif
_cod_data_source_block           Cr1.4Ni1S4V0.6
_cod_original_cell_volume        218.6163
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_original_formula_sum        'Cr1.4 Ni1 S4 V0.6'
_cod_database_code               4002288
Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide
Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.; Chemistry of Materials (1,1989-) 12 (2000) 1034–1041; doi:

data_4002289
_publ_section_title
;
 Structural, magnetic, and electronic properties of vanadium-substituted
 nickel chromium sulfide
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1034
_journal_page_last               1041
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cr1.2 Ni S4 V0.8'
_chemical_name_systematic        'Ni Cr1.2 V0.8 S4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.834
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.8517
_cell_length_b                   3.35413
_cell_length_c                   11.0542
_cell_volume                     216.854
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Vaqueiro_CMATEX_2000_999.cif
_cod_data_source_block           Cr1.2Ni1S4V0.8
_cod_original_cell_volume        216.8537
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_original_formula_sum        'Cr1.2 Ni1 S4 V0.8'
_cod_database_code               4002289
Crystal structure of the end product of electrochemical lithium intercalation in V2 (S O4)3
Vaughan, G.M.B.; Quarton, M.; Gaubicher, J.; le Mercier, T.; Angenault, J.; Chabre, Y.; Journal of Materials Chemistry 9 (1999) 2809–2812; doi:

data_7221089
_publ_section_title
;
 Crystal structure of the end product of electrochemical lithium
 intercalation in V2 (S O4)3
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2809
_journal_page_last               2812
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Li2 O12 S3 V2'
_chemical_name_systematic        'Li2 V2 (S O4)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.443
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0582
_cell_length_b                   8.6526
_cell_length_c                   8.7247
_cell_volume                     890.173
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Vaughan_JMACEP_1999_137.cif
_cod_data_source_block           Li2O12S3V2
_cod_original_cell_volume        890.1732
_cod_database_code               7221089
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE= Nd, Sm)
Karen, P.; Woodward, P.M.; Journal of Materials Chemistry 9 (1998) 789–797; doi:

data_7221090
_publ_section_title
;
 Synthesis and structural investigations of the double perovskites RE Ba
 Fe2 O5+w (RE= Nd, Sm)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              789
_journal_page_last               797
_journal_volume                  9
_journal_year                    1998
_chemical_formula_sum            'Ba Fe2 O5.036 Sm'
_chemical_name_systematic        'Sm Ba Fe2 O5.036'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.94611
_cell_length_b                   3.9578
_cell_length_c                   7.62294
_cell_volume                     119.054
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Karen_JMACEP_1998_152.cif
_cod_data_source_block           Ba1Fe2O5.036Sm1
_cod_original_cell_volume        119.0544
_cod_original_formula_sum        'Ba1 Fe2 O5.036 Sm1'
_cod_database_code               7221090
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)
Karen, P.; Woodward, P.M.; Journal of Materials Chemistry 9 (1998) 789–797; doi:

data_7221091
_publ_section_title
;
 Synthesis and structural investigations of the double perovskites RE Ba
 Fe2 O5+w (RE = Nd, Sm)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              789
_journal_page_last               797
_journal_volume                  9
_journal_year                    1998
_chemical_formula_sum            'Ba Fe2 O5.091 Sm'
_chemical_name_systematic        'Sm Ba Fe2 O5.091'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.95091
_cell_length_b                   3.95091
_cell_length_c                   7.64129
_cell_volume                     119.278
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Karen_JMACEP_1998_153.cif
_cod_data_source_block           Ba1Fe2O5.091Sm1
_cod_original_cell_volume        119.2782
_cod_original_formula_sum        'Ba1 Fe2 O5.091 Sm1'
_cod_database_code               7221091
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)
Karen, P.; Woodward, P.M.; Journal of Materials Chemistry 9 (1998) 789–797; doi:

data_7221092
_publ_section_title
;
 Synthesis and structural investigations of the double perovskites RE Ba
 Fe2 O5+w (RE = Nd, Sm)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              789
_journal_page_last               797
_journal_volume                  9
_journal_year                    1998
_chemical_formula_sum            'Ba Fe2 O5.498 Sm'
_chemical_name_systematic        'Sm Ba Fe2 O5.498'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9397
_cell_length_b                   3.9397
_cell_length_c                   7.75526
_cell_volume                     120.371
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Karen_JMACEP_1998_154.cif
_cod_data_source_block           Ba1Fe2O5.498Sm1
_cod_original_cell_volume        120.3712
_cod_original_formula_sum        'Ba1 Fe2 O5.498 Sm1'
_cod_database_code               7221092