LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538381
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Mg3 O12 Si3 V2'
_chemical_name_systematic        'Mg3 V2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.68
_cell_length_b                   11.68
_cell_length_c                   11.68
_cell_volume                     1593.414
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1823.cif
_cod_data_source_block           Mg3O12Si3V2
_cod_database_code               1538381
Structure of alpha,gamma-bidentate tetraammine (dihydrogentriphosphato)cobalt(III) monohydrate
Merritt, E.A.; Cornelius, R.D.; Sundaralingam, M.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 657–659; doi:

data_2107108
_publ_section_title
;
 Structure of alpha,gamma-bidentate tetraammine
 (dihydrogentriphosphato)cobalt(III) monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              657
_journal_page_last               659
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Co H16 N4 O11 P3'
_chemical_name_systematic        '(Co (N H3)4) (H2 P3 O10) (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.909
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.234
_cell_length_b                   14.106
_cell_length_c                   12.113
_cell_volume                     1234.452
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Merritt_ACBCAR_1981_1290.cif
_cod_data_source_block           H16Co1N4O11P3
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H16 Co1 N4 O11 P3'
_cod_database_code               2107108
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538382
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Fe2 Mg3 O12 Si3'
_chemical_name_systematic        'Mg3 Fe2 (Si O4)3'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.69
_cell_length_b                   11.69
_cell_length_c                   11.69
_cell_volume                     1597.510
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1824.cif
_cod_data_source_block           Fe2Mg3O12Si3
_cod_original_cell_volume        1597.51
_cod_database_code               1538382
Structure du difer-sulfonyle-octacarbonyle Fe2 (C O)8 S O2
Meunier-Piret, J.; Piret, P.; van Meerssche, M.; Bulletin de la Societe Chimique de Belgique 76 (1967) 374–399; doi:

data_1538383
_publ_section_title
;
 Structure du difer-sulfonyle-octacarbonyle Fe2 (C O)8 S O2
;
_journal_name_full               'Bulletin de la Societe Chimique de Belgique'
_journal_page_first              374
_journal_page_last               399
_journal_volume                  76
_journal_year                    1967
_chemical_formula_sum            'C8 Fe2 O10 S'
_chemical_name_systematic        'Fe2 (C O)8 S O2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.75
_cell_length_b                   13.19
_cell_length_c                   12.74
_cell_volume                     1349.425
_citation_journal_id_ASTM        BSBQAM
_cod_data_source_file            Meunier-Piret_BSBQAM_1967_1873.cif
_cod_data_source_block           C8Fe2O10S1
_cod_original_formula_sum        'C8 Fe2 O10 S1'
_cod_database_code               1538383
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538384
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Mg3 Mn2 O12 Si3'
_chemical_name_systematic        'Mg3 Mn2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.7
_cell_length_b                   11.7
_cell_length_c                   11.7
_cell_volume                     1601.613
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1825.cif
_cod_data_source_block           Mg3Mn2O12Si3
_cod_database_code               1538384
Die Struktur der Phasen Li Co2 Ge und Li Ni2 Sn
Mewis, A.; Schuster, H.U.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 26 (1971) 62–62; doi:

data_7222888
_publ_section_title
;
 Die Struktur der Phasen Li Co2 Ge und Li Ni2 Sn
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              62
_journal_page_last               62
_journal_volume                  26
_journal_year                    1971
_chemical_formula_sum            'Co2 Ge Li'
_chemical_name_systematic        'Li Co2 Ge'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.673
_cell_length_b                   5.673
_cell_length_c                   5.673
_cell_volume                     182.574
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Mewis_ZENBAX_1971_673.cif
_cod_data_source_block           Co2Ge1Li1
_cod_original_cell_volume        182.5737
_cod_original_formula_sum        'Co2 Ge1 Li1'
_cod_database_code               7222888
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538385
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Cr2 Fe3 O12 Si3'
_chemical_name_systematic        'Fe3 Cr2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.67
_cell_length_b                   11.67
_cell_length_c                   11.67
_cell_volume                     1589.324
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1826.cif
_cod_data_source_block           Cr2Fe3O12Si3
_cod_database_code               1538385
Die Struktur der Phasen Li Co2 Ge und Li Ni2 Sn
Mewis, A.; Schuster, H.U.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 26 (1971) 62–62; doi:

data_7222889
_publ_section_title
;
 Die Struktur der Phasen Li Co2 Ge und Li Ni2 Sn
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              62
_journal_page_last               62
_journal_volume                  26
_journal_year                    1971
_chemical_formula_sum            'Li Ni2 Sn'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.963
_cell_length_b                   5.963
_cell_length_c                   5.963
_cell_volume                     212.029
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Mewis_ZENBAX_1971_674.cif
_cod_data_source_block           Li1Ni2Sn1
_cod_original_cell_volume        212.0286
_cod_original_formula_sum        'Li1 Ni2 Sn1'
_cod_database_code               7222889
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538386
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Fe3 O12 Si3 V2'
_chemical_name_systematic        'Fe3 V2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.71
_cell_length_b                   11.71
_cell_length_c                   11.71
_cell_volume                     1605.723
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1827.cif
_cod_data_source_block           Fe3O12Si3V2
_cod_database_code               1538386
Contribution a l'Etude du Ferrite Cuivreux et de ses Solutions Solides avec le Ferrite Cuivrique
Mexmain, J.; Annales de Chimie (Paris) 1971 (1971) 297–308; doi:

data_1538387
_publ_section_title
;
 Contribution a l'Etude du Ferrite Cuivreux et de ses Solutions Solides
 avec le Ferrite Cuivrique
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              297
_journal_page_last               308
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'Cu Fe5 O8'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.413
_cell_length_b                   8.413
_cell_length_c                   8.413
_cell_volume                     595.460
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Mexmain_ANCPAC_1971_334.cif
_cod_data_source_block           Cu1Fe5O8
_cod_original_cell_volume        595.4601
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Cu1 Fe5 O8'
_cod_database_code               1538387
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538388
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Fe5 O12 Si3'
_chemical_name_systematic        'Fe3 Fe2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.72
_cell_length_b                   11.72
_cell_length_c                   11.72
_cell_volume                     1609.840
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1828.cif
_cod_data_source_block           Fe5O12Si3
_cod_original_cell_volume        1609.841
_cod_database_code               1538388
Contribution a l'Etude du Ferrite Cuivreux et de ses Solutions Solides avec le Ferrite Cuivrique
Mexmain, J.; Annales de Chimie (Paris) 1971 (1971) 297–308; doi:

data_1538389
_publ_section_title
;
 Contribution a l'Etude du Ferrite Cuivreux et de ses Solutions Solides
 avec le Ferrite Cuivrique
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              297
_journal_page_last               308
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'Cu0.75 Fe2.25 O4'
_chemical_name_systematic        'Cu.75 Fe2.25 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.402
_cell_length_b                   8.402
_cell_length_c                   8.402
_cell_volume                     593.127
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Mexmain_ANCPAC_1971_335.cif
_cod_data_source_block           Cu0.75Fe2.25O4
_cod_original_cell_volume        593.1276
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1538389
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538390
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Fe3 Mn2 O12 Si3'
_chemical_name_systematic        'Fe3 Mn2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.73
_cell_length_b                   11.73
_cell_length_c                   11.73
_cell_volume                     1613.965
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1829.cif
_cod_data_source_block           Fe3Mn2O12Si3
_cod_original_cell_volume        1613.964
_cod_database_code               1538390
A3 In2 Cl9 (A= Cs, Rb, In, Tl) und Cs3 In2 Br9 -x (x= 0, 3, 6, 8, 7)
Meyer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 445 (1978) 140–146; doi:

data_1538391
_publ_section_title
;
 A3 In2 Cl9 (A= Cs, Rb, In, Tl) und Cs3 In2 Br9 -x (x= 0, 3, 6, 8, 7)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              140
_journal_page_last               146
_journal_volume                  445
_journal_year                    1978
_chemical_formula_sum            'Cl9 Cs3 In2'
_chemical_name_systematic        'Cs3 (In2 Cl9)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.73
_cell_length_b                   12.73
_cell_length_c                   18.24
_cell_volume                     2559.837
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Meyer_ZAACAB_1978_362.cif
_cod_data_source_block           Cl9Cs3In2
_cod_database_code               1538391
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538392
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Cr2 Mn3 O12 Si3'
_chemical_name_systematic        'Mn3 Cr2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.78
_cell_length_b                   11.78
_cell_length_c                   11.78
_cell_volume                     1634.692
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1830.cif
_cod_data_source_block           Cr2Mn3O12Si3
_cod_database_code               1538392
Atomic structures of two rhombohedral ferroelectric phases in the Pb (Zr Ti) O3 solid solution series
Michel, C.; Moreau, J.M.; Achenbach, G.D.; Gerson, R.; James, W.J.; Solid State Communications 7 (1969) 865–868; doi:

data_1538393
_publ_section_title
;
 Atomic structures of two rhombohedral ferroelectric phases in the Pb (Zr
 Ti) O3 solid solution series
;
_journal_name_full               'Solid State Communications'
_journal_page_first              865
_journal_page_last               868
_journal_volume                  7
_journal_year                    1969
_chemical_formula_sum            'O3 Pb Ti0.42 Zr0.58'
_chemical_name_systematic        'Pb (Zr0.58 Ti0.42) O3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                89.65
_cell_angle_beta                 89.65
_cell_angle_gamma                89.65
_cell_formula_units_Z            1
_cell_length_a                   4.07
_cell_length_b                   4.07
_cell_length_c                   4.07
_cell_volume                     67.415
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Michel_SSCOA4_1969_112.cif
_cod_data_source_block           O3Pb1Ti0.42Zr0.58
_cod_original_cell_volume        67.41539
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'O3 Pb1 Ti0.42 Zr0.58'
_cod_database_code               1538393
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538394
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Mn3 O12 Si3 V2'
_chemical_name_systematic        'Mn3 V2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.83
_cell_length_b                   11.83
_cell_length_c                   11.83
_cell_volume                     1655.595
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1831.cif
_cod_data_source_block           Mn3O12Si3V2
_cod_database_code               1538394
Crystal structure of tetraammonium diphosphate, (N H4)4 P2 O7 at 22 C
Middlemiss, N.; Calvo, C.; Canadian Journal of Chemistry 54 (1976) 2025–2028; doi:

data_1538395
_publ_section_title
;
 Crystal structure of tetraammonium diphosphate, (N H4)4 P2 O7 at 22 C
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              2025
_journal_page_last               2028
_journal_volume                  54
_journal_year                    1976
_chemical_formula_sum            'H16 N4 O7 P2'
_chemical_name_systematic        '(N H4)4 (P2 O7)'
_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                 104.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.758
_cell_length_b                   6.486
_cell_length_c                   13.659
_cell_volume                     1007.062
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Middlemiss_CJCHAG_1976_1947.cif
_cod_data_source_block           H16N4O7P2
_cod_original_cell_volume        1007.063
_cod_database_code               1538395
The crystal chemistry of the silicate garnets
Novak, G.A.; Gibbs, G.V.; American Mineralogist 56 (1971) 791–823; doi:

data_1538396
_publ_section_title
;
 The crystal chemistry of the silicate garnets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Mn5 O12 Si3'
_chemical_name_systematic        'Mn3 Mn2 Si3 O12'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.85
_cell_length_b                   11.85
_cell_length_c                   11.85
_cell_volume                     1664.007
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Novak_AMMIAY_1971_1832.cif
_cod_data_source_block           Mn5O12Si3
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