LMucko/crystallography-open-database huggingface dataset:
The Stereochemistry of Quadricovalent Atoms: Copper and Silver _cod_database_code 1010482
Cox, E.; Wardlaw, W.; Webster, K.; Journal of the Chemical Society 1936 (1936) 775–781; doi:

data_9014031
_publ_section_title
;
 The Stereochemistry of Quadricovalent Atoms: Copper and Silver
 _cod_database_code 1010482
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              775
_journal_page_last               781
_journal_volume                  1936
_journal_year                    1936
_chemical_formula_sum            'C8 Cl Cu N4 S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.43
_cell_length_b                   12.43
_cell_length_c                   5.52
_cell_formula_units_Z            2
_cell_volume                     852.867
_database_code_amcsd             0017398
_exptl_crystal_density_diffrn    1.477
_cod_duplicate_entry             1010482
_cod_original_formula_sum        'S4 C8 N4 Cl Cu'
_cod_database_code               9014031
_amcsd_formula_title             'Cl Cu H20 N4 S4'
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Furuseth, S.; Selte, K.; Kjekshus, A.; Acta Chemica Scandinavica 19 (1965) 735–741; doi:10.3891/acta.chem.scand.19-0735

data_9014032
_publ_section_title
;
 Redetermined crystal structures of PdAs2, PdSb2,
 PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              735
_journal_page_last               741
_journal_paper_doi               10.3891/acta.chem.scand.19-0735
_journal_volume                  19
_journal_year                    1965
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pt'
_chemical_name_mineral           Insizwaite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.7022
_cell_length_b                   6.7022
_cell_length_c                   6.7022
_cell_formula_units_Z            4
_cell_volume                     301.059
_database_code_amcsd             0017788
_exptl_crystal_density_diffrn    13.525
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Pt Bi2'
_cod_database_code               9014032
Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite
Adhikesavalu, D.; Cameron, T. S.; Knop, O.; Canadian Journal of Chemistry 63 (1985) 3322–3327; doi:10.1139/v85-550

data_9014033
_publ_section_title
;
 Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              3322
_journal_page_last               3327
_journal_paper_doi               10.1139/v85-550
_journal_volume                  63
_journal_year                    1985
_chemical_formula_sum            'Al Ca F6 H2 Na O'
_chemical_name_mineral           Thomsenolite
_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                 96.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.563
_cell_length_b                   5.541
_cell_length_c                   16.1150
_cell_volume                     493.691
_database_code_amcsd             0012167
_exptl_crystal_density_diffrn    2.988
_cod_original_formula_sum        'Na Ca Al F6 O H2'
_cod_database_code               9014033
The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t Sample A Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
Giuseppetti, G.; Mazzi, F.; Tadini, C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203–221; doi:

data_9014034
_publ_section_title
;
 The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t
 Sample A
 Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              203
_journal_page_last               221
_journal_volume                  1988
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C0.61 Na4 O7.39 S1.39'
_chemical_name_mineral           Burkeite
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2a'
_symmetry_space_group_name_H-M   'P m n m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.170
_cell_length_b                   9.217
_cell_length_c                   7.058
_cell_volume                     336.327
_database_code_amcsd             0014823
_exptl_crystal_density_diffrn    2.588
_cod_original_sg_symbol_H-M      'P m n m'
_cod_original_formula_sum        'Na4 C.61 S1.39 O7.39'
_cod_database_code               9014034
Effects of extra oxygen on the structure and superconductivity of La2-xCaxCuO4+y prepared by chemical oxidation _cod_database_code 1006182
Rial, C.; Moran, E.; Alario-Franco M; Amador, U.; Martinez, J.; Rodriguez-Carvajal J; Andersen, N.; Physica C 297 (1998) 277–293; doi:

data_9014035
_publ_section_title
;
 Effects of extra oxygen on the structure and superconductivity of
 La2-xCaxCuO4+y prepared by chemical oxidation
 _cod_database_code 1006182
;
_journal_name_full               'Physica C'
_journal_page_first              277
_journal_page_last               293
_journal_volume                  297
_journal_year                    1998
_chemical_formula_sum            'Ca0.12 Cu La1.88 O3.99'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3304
_cell_length_b                   5.3663
_cell_length_c                   13.1464
_cell_formula_units_Z            4
_cell_volume                     376.047
_database_code_amcsd             0015091
_exptl_crystal_density_diffrn    6.948
_cod_duplicate_entry             1006182
_cod_original_formula_sum        '(La1.88 Ca.12) Cu O3.99'
_cod_database_code               9014035
_amcsd_formula_title             'Ca0.12 Cu La1.88 O4'
Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: harmonic scattering factor refinement
Sawada, H.; Materials Research Bulletin 29 (1994) 239–245; doi:10.1016/0025-5408(94)90019-1

data_9014036
_publ_section_title
;
 Residual electron density study of chromium sesquioxide
 by crystal structure and scattering factor refinement
 Note: harmonic scattering factor refinement
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              239
_journal_page_last               245
_journal_paper_doi               10.1016/0025-5408(94)90019-1
_journal_volume                  29
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_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_length_a                   4.9570
_cell_length_b                   4.9570
_cell_length_c                   13.5923
_cell_formula_units_Z            6
_cell_volume                     289.242
_database_code_amcsd             0017803
_exptl_crystal_density_diffrn    5.235
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9014036
Ba3Nb2O2F12.2H2O: Synthesis and crystal structure _cod_database_code 1000352
Crosnier-Lopez M; Fourquet, J.; Journal of Solid State Chemistry 105 (1993) 92–99; doi:10.1006/jssc.1993.1196

data_9014037
_publ_section_title
;
 Ba3Nb2O2F12.2H2O: Synthesis and crystal structure
 _cod_database_code 1000352
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              92
_journal_page_last               99
_journal_paper_doi               10.1006/jssc.1993.1196
_journal_volume                  105
_journal_year                    1993
_chemical_formula_sum            'Ba3 F12 Nb2 O4'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   22.633
_cell_length_b                   7.804
_cell_length_c                   7.748
_cell_formula_units_Z            4
_cell_volume                     1368.513
_database_code_amcsd             0013780
_exptl_crystal_density_diffrn    4.319
_cod_duplicate_entry             1000352
_cod_original_formula_sum        'Ba3 Nb2 F12 O4'
_cod_database_code               9014037
_amcsd_formula_title             'Ba3 F12 H4 Nb2 O4'
Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes WO3 et WO3*0.5(H2O) a Structure Pyrochlore _cod_database_code 1001358
Nedjar, R.; Borel, M.; Hervieu, M.; Raveau, B.; Materials Research Bulletin 23 (1988) 91–97; doi:10.1016/0025-5408(88)90229-2

data_9014038
_publ_section_title
;
 Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes WO3 et
 WO3*0.5(H2O) a Structure Pyrochlore
 _cod_database_code 1001358
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              91
_journal_page_last               97
_journal_paper_doi               10.1016/0025-5408(88)90229-2
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'O7 W2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.206
_cell_length_b                   10.206
_cell_length_c                   10.206
_cell_formula_units_Z            8
_cell_volume                     1063.082
_database_code_amcsd             0014322
_exptl_crystal_density_diffrn    5.994
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'W2 O7'
_cod_database_code               9014038
_amcsd_formula_title             WO3*0.5(H2O)
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl) _cod_database_code 1001060
Michel, C.; Groult, D.; Raveau, B.; Materials Research Bulletin 8 (1973) 201–210; doi:10.1016/0025-5408(73)90173-6

data_9014039
_publ_section_title
;
 Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl)
 _cod_database_code 1001060
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              201
_journal_page_last               210
_journal_paper_doi               10.1016/0025-5408(73)90173-6
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Cs0.5 O3 Sb0.5 W0.5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.279
_cell_length_b                   10.279
_cell_length_c                   10.279
_cell_formula_units_Z            16
_cell_volume                     1086.057
_database_code_amcsd             0014226
_exptl_crystal_density_diffrn    6.538
_cod_duplicate_entry             1001060
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cs.5 (Sb.5 W.5) O3'
_cod_database_code               9014039
_amcsd_formula_title             'Cs O6 Sb W'
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m _cod_database_code 1000499
Fourquet, J.; Jacoboni, C.; de Pape, R.; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_9014040
_publ_section_title
;
 Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
 A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m
 _cod_database_code 1000499
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Co0.5 Cr0.5 F3 Rb0.5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.277
_cell_length_b                   10.277
_cell_length_c                   10.277
_cell_formula_units_Z            16
_cell_volume                     1085.423
_database_code_amcsd             0014232
_exptl_crystal_density_diffrn    3.799
_cod_duplicate_entry             1000499
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Rb.5 (Co.5 Cr.5) F3'
_cod_database_code               9014040
_amcsd_formula_title             'Co Cr F6 Rb'
Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa
Dera, P.; Lazarz, J. D.; Lavina, B.; Journal of Solid State Chemistry 184 (2011) 1997–2003; doi:10.1016/j.jssc.2011.05.050

data_9014041
_publ_section_title
;
 Pressure-induced development of bonding in NiAs type compounds and
 polymorphism of NiP
 Note: P = 5.79 GPa
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1997
_journal_page_last               2003
_journal_paper_doi               10.1016/j.jssc.2011.05.050
_journal_volume                  184
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni7 P7'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.801
_cell_length_b                   5.9238
_cell_length_c                   4.8479
_cell_formula_units_Z            4
_cell_volume                     683.517
_database_code_amcsd             0018498
_exptl_crystal_density_diffrn    6.099
_cod_database_code               9014041
_amcsd_formula_title             NiP
Crystallography and genesis of double sulfates and their hydrates. II. Structure, powder pattern and thermoanalysis of cyanochroite, K2Cu(SO4)2*6H2O
Carapezza, M.; Di Sanseverino, L. R.; Mineralogica Petrographica Acta 14 (1968) 23–37; doi:

data_9014042
_publ_section_title
;
 Crystallography and genesis of double sulfates and their hydrates. II.
 Structure, powder pattern and thermoanalysis of cyanochroite, K2Cu(SO4)2*6H2O
;
_journal_name_full               'Mineralogica Petrographica Acta'
_journal_page_first              23
_journal_page_last               37
_journal_volume                  14
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu K2 O14 S2'
_chemical_name_mineral           Cyanochroite
_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                 104.45
_cell_angle_gamma                90
_cell_length_a                   6.159
_cell_length_b                   12.131
_cell_length_c                   9.086
_cell_formula_units_Z            2
_cell_volume                     657.384
_database_code_amcsd             0019590
_exptl_crystal_density_diffrn    2.172
_cod_original_formula_sum        'Cu K2 S2 O14'
_cod_database_code               9014042
La struttura cristallina della calclacite
Giuseppetti, G.; Tadini, C.; Ungaretti, L.; Periodico di Mineralogia 39 (1970) 145–158; doi:

data_9014043
_publ_section_title
;
 La struttura cristallina della calclacite
;
_journal_name_full               'Periodico di Mineralogia'
_journal_page_first              145
_journal_page_last               158
_journal_volume                  39
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H10 Ca Cl O7'
_chemical_name_mineral           Calclacite
_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                 116.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.82
_cell_length_b                   13.72
_cell_length_c                   11.51
_cell_volume                     962.157
_database_code_amcsd             0019021
_exptl_crystal_density_diffrn    1.530
_cod_original_formula_sum        'Ca C2 O7 Cl H10'
_cod_database_code               9014043
Crystal structure and thermal behavior of Cs2 (B4 O5 (O H)4)3 H2 O _cod_database_code 1004144
Touboul, M.; Penin, N.; Nowogrocki, G.; Journal of Solid State Chemistry 143 (1999) 260–265; doi:10.1006/jssc.1998.8104

data_9014044
_publ_section_title
;
 Crystal structure and thermal behavior of Cs2 (B4 O5 (O H)4)3 H2 O
 _cod_database_code 1004144
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              260
_journal_page_last               265
_journal_paper_doi               10.1006/jssc.1998.8104
_journal_volume                  143
_journal_year                    1999
_chemical_formula_sum            'B2 Cs H5 O6'
_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                 92.06
_cell_angle_gamma                90
_cell_length_a                   8.424
_cell_length_b                   11.378
_cell_length_c                   13.160
_cell_formula_units_Z            8
_cell_volume                     1260.548
_database_code_amcsd             0013970
_exptl_crystal_density_diffrn    2.693
_cod_duplicate_entry             1004144
_cod_original_formula_sum        'Cs B2 O6 H5'
_cod_database_code               9014044
_amcsd_formula_title             'B4 Cs2 H10 O12'
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 823.1 K
Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.; American Mineralogist 96 (2011) 1593–1605; doi:10.2138/am.2011.3714

data_9014045
_publ_section_title
;
 Static disorders of atoms and experimental determination of Debye temperature in
 pyrope: Low- and high-temperature single-crystal X-ray diffraction study
 Note: T = 823.1 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1593
_journal_page_last               1605
_journal_paper_doi               10.2138/am.2011.3714
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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_length_a                   11.5136
_cell_length_b                   11.5136
_cell_length_c                   11.5136
_cell_formula_units_Z            8
_cell_volume                     1526.277
_database_code_amcsd             0018552
_exptl_crystal_density_diffrn    3.509
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9014045
Roentgenanalyse des Systems Arsen-Antimon _cod_database_code 1011346
Trsebiatkowski, W.; Bryjak, E.; Zeitschrift fur Anorganische und Allgemeine Chemie 238 (1938) 255–267; doi:

data_9014046
_publ_section_title
;
 Roentgenanalyse des Systems Arsen-Antimon
 _cod_database_code 1011346
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              255
_journal_page_last               267
_journal_volume                  238
_journal_year                    1938
_chemical_formula_sum            'As0.5 Sb0.5'
_chemical_name_mineral           Stibarsen
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.012
_cell_length_b                   4.012
_cell_length_c                   10.918
_cell_formula_units_Z            6
_cell_volume                     152.193
_database_code_amcsd             0018183
_exptl_crystal_density_diffrn    6.437
_cod_duplicate_entry             1011346
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        '(As.5 Sb.5)'
_cod_database_code               9014046
Die Struktur des Berylliumsulfat-Tetrahydrates Be S O4 (H2 O)4 _cod_database_code 1010614
Schonefeld, P.; Zeitschrift fur Kristallographie 78 (1931) 16–41; doi:

data_9014047
_publ_section_title
;
 Die Struktur des Berylliumsulfat-Tetrahydrates Be S O4 (H2 O)4
 _cod_database_code 1010614
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              16
_journal_page_last               41
_journal_volume                  78
_journal_year                    1931
_chemical_formula_sum            'Be O8 S'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.02
_cell_length_b                   8.02
_cell_length_c                   10.75
_cell_formula_units_Z            4
_cell_volume                     691.444
_database_code_amcsd             0017496
_exptl_crystal_density_diffrn    1.624
_cod_duplicate_entry             1010614
_cod_original_formula_sum        'S Be O8'
_cod_database_code               9014047
_amcsd_formula_title             'Be H8 O8 S'