LMucko/crystallography-open-database huggingface dataset:
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011281
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 0.63 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.00
_cell_angle_gamma                90
_cell_length_a                   7.164
_cell_length_b                   4.371
_cell_length_c                   5.064
_cell_formula_units_Z            2
_cell_volume                     158.573
_database_code_amcsd             0009863
_diffrn_ambient_pressure         6.3e+05
_exptl_crystal_density_diffrn    9.470
_cod_database_code               9011281
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011282
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 1.63 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.15
_cell_angle_gamma                90
_cell_length_a                   7.129
_cell_length_b                   4.314
_cell_length_c                   5.036
_cell_formula_units_Z            2
_cell_volume                     154.879
_database_code_amcsd             0009864
_diffrn_ambient_pressure         1.63e+06
_exptl_crystal_density_diffrn    9.696
_cod_database_code               9011282
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011283
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 1.78 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.3
_cell_angle_gamma                90
_cell_length_a                   7.11
_cell_length_b                   4.29
_cell_length_c                   5.05
_cell_formula_units_Z            2
_cell_volume                     154.032
_database_code_amcsd             0009865
_diffrn_ambient_pressure         1.78e+06
_exptl_crystal_density_diffrn    9.749
_cod_original_cell_volume        154.033
_cod_database_code               9011283
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011284
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 1.89 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.30
_cell_angle_gamma                90
_cell_length_a                   7.100
_cell_length_b                   4.286
_cell_length_c                   5.029
_cell_formula_units_Z            2
_cell_volume                     153.033
_database_code_amcsd             0009866
_diffrn_ambient_pressure         1.89e+06
_exptl_crystal_density_diffrn    9.813
_cod_database_code               9011284
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011285
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 2.40 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.40
_cell_angle_gamma                90
_cell_length_a                   7.100
_cell_length_b                   4.221
_cell_length_c                   5.029
_cell_formula_units_Z            2
_cell_volume                     150.711
_database_code_amcsd             0009867
_diffrn_ambient_pressure         2.4e+06
_exptl_crystal_density_diffrn    9.964
_cod_database_code               9011285
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011286
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 3.72 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.100
_cell_length_b                   4.100
_cell_length_c                   5.021
_cell_formula_units_Z            1
_cell_volume                     73.095
_database_code_amcsd             0009868
_diffrn_ambient_pressure         3.72e+06
_exptl_crystal_density_diffrn    10.272
_cod_database_code               9011286
High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa
Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.; Acta Crystallographica, Section B 49 (1993) 6–11; doi:10.1107/S0108768192007286

data_9011287
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 5.13 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_paper_doi               10.1107/S0108768192007286
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.078
_cell_length_b                   4.078
_cell_length_c                   5.000
_cell_formula_units_Z            1
_cell_volume                     72.010
_database_code_amcsd             0009869
_diffrn_ambient_pressure         5.13e+06
_exptl_crystal_density_diffrn    10.427
_cod_database_code               9011287
Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD
Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.; Acta Crystallographica, Section B 49 (1993) 192–201; doi:10.1107/S0108768192009583

data_9011288
_publ_section_title
;
 Bonding deformation and superposition in the
 electron density of tetragonal NiSO4*6H2O at 25K
 Sample: T = 25 K, neutron refinement
 Note: anisoU's from ICSD
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              192
_journal_page_last               201
_journal_paper_doi               10.1107/S0108768192009583
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'H12 Ni O10 S'
_chemical_name_mineral           Retgersite
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7778
_cell_length_b                   6.7778
_cell_length_c                   18.176
_cell_volume                     834.979
_database_code_amcsd             0009870
_diffrn_ambient_temperature      25
_exptl_crystal_density_diffrn    2.091
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_cell_volume        834.980
_cod_original_formula_sum        'Ni S O10 H12'
_cod_database_code               9011288
Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement
Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.; Acta Crystallographica, Section B 49 (1993) 192–201; doi:10.1107/S0108768192009583

data_9011289
_publ_section_title
;
 Bonding deformation and superposition in the
 electron density of tetragonal NiSO4*6H2O at 25K
 Sample: T = 25 K, X-ray refinement
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              192
_journal_page_last               201
_journal_paper_doi               10.1107/S0108768192009583
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ni O10 S'
_chemical_name_mineral           Retgersite
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7778
_cell_length_b                   6.7778
_cell_length_c                   18.176
_cell_volume                     834.979
_database_code_amcsd             0009871
_diffrn_ambient_temperature      25
_exptl_crystal_density_diffrn    1.995
_cod_original_cell_volume        834.980
_cod_original_formula_sum        'Ni S O10'
_cod_database_code               9011289
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .9 angstroms
Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.; Acta Crystallographica, Section B 49 (1993) 967–973; doi:10.1107/S0108768193005725

data_9011290
_publ_section_title
;
 Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
 Sample: .9 angstroms
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              967
_journal_page_last               973
_journal_paper_doi               10.1107/S0108768193005725
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 K2 Si'
_chemical_name_mineral           Hieratite
_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_length_a                   8.1419
_cell_length_b                   8.1419
_cell_length_c                   8.1419
_cell_formula_units_Z            4
_cell_volume                     539.731
_database_code_amcsd             0009878
_exptl_crystal_density_diffrn    2.711
_cod_original_formula_sum        'K2 Si F6'
_cod_database_code               9011290
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .7 angstroms
Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.; Acta Crystallographica, Section B 49 (1993) 967–973; doi:10.1107/S0108768193005725

data_9011291
_publ_section_title
;
 Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
 Sample: .7 angstroms
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              967
_journal_page_last               973
_journal_paper_doi               10.1107/S0108768193005725
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 K2 Si'
_chemical_name_mineral           Hieratite
_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_length_a                   8.1419
_cell_length_b                   8.1419
_cell_length_c                   8.1419
_cell_formula_units_Z            4
_cell_volume                     539.731
_database_code_amcsd             0009879
_exptl_crystal_density_diffrn    2.711
_cod_original_formula_sum        'K2 Si F6'
_cod_database_code               9011291
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: Mo K-alpha
Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.; Acta Crystallographica, Section B 49 (1993) 967–973; doi:10.1107/S0108768193005725

data_9011292
_publ_section_title
;
 Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
 Sample: Mo K-alpha
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              967
_journal_page_last               973
_journal_paper_doi               10.1107/S0108768193005725
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 K2 Si'
_chemical_name_mineral           Hieratite
_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_length_a                   8.1419
_cell_length_b                   8.1419
_cell_length_c                   8.1419
_cell_formula_units_Z            4
_cell_volume                     539.731
_database_code_amcsd             0009880
_exptl_crystal_density_diffrn    2.711
_cod_original_formula_sum        'K2 Si F6'
_cod_database_code               9011292
Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.; Acta Crystallographica, Section B 49 (1993) 967–973; doi:10.1107/S0108768193005725

data_9011293
_publ_section_title
;
 Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              967
_journal_page_last               973
_journal_paper_doi               10.1107/S0108768193005725
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     K2PdCl6
_chemical_formula_sum            'Cl6 K2 Pd'
_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_length_a                   8.1419
_cell_length_b                   8.1419
_cell_length_c                   8.1419
_cell_formula_units_Z            4
_cell_volume                     539.731
_database_code_amcsd             0009881
_exptl_crystal_density_diffrn    4.890
_cod_original_formula_sum        'K2 Pd Cl6'
_cod_database_code               9011293
_amcsd_formula_title             K2PdCl6
The optical activity and absolute optical chirality of NaNH4SO4*2H2O Locality: synthetic
Arzt, S.; Glazer, A. M.; Acta Crystallographica, Section B 50 (1994) 425–431; doi:10.1107/S0108768193014569

data_9011294
_publ_section_title
;
 The optical activity and absolute optical chirality of NaNH4SO4*2H2O
 Locality: synthetic
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              425
_journal_page_last               431
_journal_paper_doi               10.1107/S0108768193014569
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'H8 N Na O6 S'
_chemical_name_mineral           Lecontite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.253
_cell_length_b                   8.228
_cell_length_c                   12.856
_cell_formula_units_Z            4
_cell_volume                     661.437
_exptl_crystal_density_diffrn    1.738
_cod_original_formula_sum        'N H8 Na S O6'
_cod_database_code               9011294
_cod_duplicate_entry 2101166
The structure of aurichalcite, (Cu,Zn)5(OH)6(CO3)2, determined from a microcrystal
Harding, M. M.; Kariuki, B. M.; Cernik, R.; Cressey, G.; Acta Crystallographica, Section B 50 (1994) 673–676; doi:10.1107/S0108768194007470

data_9011295
_publ_section_title
;
 The structure of aurichalcite, (Cu,Zn)5(OH)6(CO3)2, determined from
 a microcrystal
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              673
_journal_page_last               676
_journal_paper_doi               10.1107/S0108768194007470
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C2 H4 Cu2 O12 Zn3'
_chemical_name_mineral           Aurichalcite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.82
_cell_length_b                   6.419
_cell_length_c                   5.29
_cell_volume                     460.594
_cod_duplicate_entry             2101233
_cod_data_source_file            09040.cif
_cod_data_source_block           global
_cod_original_formula_sum        'Cu2 Zn3 O12 C2 H4'
_cod_database_code               9011295
Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia
Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y.; Acta Crystallographica, Section B 54 (1998) 109–114; doi:10.1107/S010876819700726X

data_9011296
_publ_section_title
;
 Structure refinement of monoclinic astrophyllite
 Locality: Khibina alkaline massif, Russia
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              109
_journal_page_last               114
_journal_paper_doi               10.1107/S010876819700726X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti'
_chemical_name_mineral           'Magnesium astrophyllite'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.55
_cell_angle_gamma                90
_cell_length_a                   10.370
_cell_length_b                   23.129
_cell_length_c                   5.322
_cell_formula_units_Z            1
_cell_volume                     1258.779
_cod_data_source_file            09048.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'A 1 2 1'
_cod_original_formula_sum        'K2 Na2 (Fe4 Mg2) Ti Si4 O15 H2'
_cod_database_code               9011296
Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia
Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y.; Acta Crystallographica, Section B 54 (1998) 109–114; doi:10.1107/S010876819700726X

data_9011297
_publ_section_title
;
 Structure refinement of monoclinic astrophyllite
 Locality: Khibina alkaline massif, Russia
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              109
_journal_page_last               114
_journal_paper_doi               10.1107/S010876819700726X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti'
_chemical_name_mineral           Magnesioastrophyllite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.55
_cell_angle_gamma                90
_cell_length_a                   10.370
_cell_length_b                   23.129
_cell_length_c                   5.322
_cell_formula_units_Z            1
_cell_volume                     1258.779
_cod_data_source_file            09049.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'A 1 2 1'
_cod_original_formula_sum        'K2 Na2 (Fe4 Mg2) Ti Si4 O15 H2'
_cod_database_code               9011297
_cod_duplicate_entry 9011296