LMucko/crystallography-open-database huggingface dataset:
Crystal structure of diammonium aquapentachloroferrate(III)
Figgis, B. N.; Raston, C. L.; Sharma, R. P.; White, A. H.; Australian Journal of Chemistry 31 (1978) 2717–2720; doi:10.1071/CH9782717

data_9012597
_publ_section_title
;
 Crystal structure of diammonium aquapentachloroferrate(III)
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              2717
_journal_page_last               2720
_journal_paper_doi               10.1071/CH9782717
_journal_volume                  31
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl5 Fe H10 N2 O'
_chemical_name_mineral           Kremersite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.706
_cell_length_b                   9.924
_cell_length_c                   7.024
_cell_formula_units_Z            4
_cell_volume                     955.393
_database_code_amcsd             0012057
_exptl_crystal_density_diffrn    1.997
_cod_original_formula_sum        'N2 H10 Fe Cl5 O'
_cod_database_code               9012597
Crystal structure determination of Ag3CuS2 from powder X-ray diffraction data
Baker, C. L.; Lincoln, F. J.; Johnson, W. S.; Australian Journal of Chemistry 45 (1992) 1441–1449; doi:10.1071/CH9921441

data_9012598
_publ_section_title
;Crystal structure determination of Ag3CuS2 from powder X-ray diffraction data
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              1441
_journal_page_last               1449
_journal_paper_doi               10.1071/CH9921441
_journal_volume                  45
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag3 Cu S2'
_chemical_name_mineral           Jalpaite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.6705
_cell_length_b                   8.6705
_cell_length_c                   11.7573
_cell_formula_units_Z            8
_cell_volume                     883.885
_database_code_amcsd             0012059
_exptl_crystal_density_diffrn    6.783
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               9012598
New phase transition into the b.c.c structure in antimony at high pressure Sample: at P = 28 GPa Note: cell parameters from ICSD Note: phase known as Sb(IV)
Aoki, K.; Fujiwara, S.; Kusakabe, M.; Solid State Communications 45 (1983) 161–163; doi:10.1016/0038-1098(83)90367-8

data_9012599
_publ_section_title
;
 New phase transition into the b.c.c structure in antimony at high pressure
 Sample: at P = 28 GPa
 Note: cell parameters from ICSD
 Note: phase known as Sb(IV)
;
_journal_name_full               'Solid State Communications'
_journal_page_first              161
_journal_page_last               163
_journal_paper_doi               10.1016/0038-1098(83)90367-8
_journal_volume                  45
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Sb
_chemical_name_common            Antimony
_chemical_name_mineral           Antimony
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.45
_cell_length_b                   3.45
_cell_length_c                   3.45
_cell_formula_units_Z            2
_cell_volume                     41.064
_database_code_amcsd             0015453
_diffrn_ambient_pressure         2.8e+07
_exptl_crystal_density_diffrn    9.847
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012599
High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 1 bar
Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.; Solid State Communications 72 (1989) 507–511; doi:10.1016/0038-1098(89)90607-8

data_9012600
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Sample: P = 1 bar
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1016/0038-1098(89)90607-8
_journal_volume                  72
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_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_length_a                   4.914
_cell_length_b                   4.914
_cell_length_c                   5.406
_cell_formula_units_Z            3
_cell_volume                     113.052
_database_code_amcsd             0015462
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.648
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012600
High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 2.0 Gpa
Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.; Solid State Communications 72 (1989) 507–511; doi:10.1016/0038-1098(89)90607-8

data_9012601
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Sample: P = 2.0 Gpa
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1016/0038-1098(89)90607-8
_journal_volume                  72
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_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_length_a                   4.812
_cell_length_b                   4.812
_cell_length_c                   5.327
_cell_formula_units_Z            3
_cell_volume                     106.823
_database_code_amcsd             0015463
_diffrn_ambient_pressure         2e+06
_exptl_crystal_density_diffrn    2.802
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012601
High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 5.1 GPa
Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.; Solid State Communications 72 (1989) 507–511; doi:10.1016/0038-1098(89)90607-8

data_9012602
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Sample: P = 5.1 GPa
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1016/0038-1098(89)90607-8
_journal_volume                  72
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_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_length_a                   4.705
_cell_length_b                   4.705
_cell_length_c                   5.250
_cell_formula_units_Z            3
_cell_volume                     100.649
_database_code_amcsd             0015464
_diffrn_ambient_pressure         5.1e+06
_exptl_crystal_density_diffrn    2.974
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012602
High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 8.0 GPa
Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.; Solid State Communications 72 (1989) 507–511; doi:10.1016/0038-1098(89)90607-8

data_9012603
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Sample: P = 8.0 GPa
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1016/0038-1098(89)90607-8
_journal_volume                  72
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_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_length_a                   4.625
_cell_length_b                   4.625
_cell_length_c                   5.216
_cell_formula_units_Z            3
_cell_volume                     96.625
_database_code_amcsd             0015465
_diffrn_ambient_pressure         8e+06
_exptl_crystal_density_diffrn    3.098
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012603
High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 9.5 GPa
Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.; Solid State Communications 72 (1989) 507–511; doi:10.1016/0038-1098(89)90607-8

data_9012604
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Sample: P = 9.5 GPa
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1016/0038-1098(89)90607-8
_journal_volume                  72
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_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_length_a                   4.594
_cell_length_b                   4.594
_cell_length_c                   5.200
_cell_formula_units_Z            3
_cell_volume                     95.042
_database_code_amcsd             0015466
_diffrn_ambient_pressure         9.5e+06
_exptl_crystal_density_diffrn    3.149
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012604
High-pressure crystal chemistry and amorphization of alpha-quartz Sample: P = 12.5 GPa
Hazen, R. M.; Finger, L. W.; Hemley, R. J.; Mao, H. K.; Solid State Communications 72 (1989) 507–511; doi:10.1016/0038-1098(89)90607-8

data_9012605
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Sample: P = 12.5 GPa
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1016/0038-1098(89)90607-8
_journal_volume                  72
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_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_length_a                   4.535
_cell_length_b                   4.535
_cell_length_c                   5.170
_cell_formula_units_Z            3
_cell_volume                     92.082
_database_code_amcsd             0015467
_diffrn_ambient_pressure         1.25e+07
_exptl_crystal_density_diffrn    3.251
_cod_original_formula_sum        'Si O2'
_cod_database_code               9012605
Die kristallstruktur des botryogens
Suesse, P.; Naturwissenschaften 54 (1967) 139–139; doi:

data_9012606
_publ_section_title
;
 Die kristallstruktur des botryogens
;
_journal_name_full               Naturwissenschaften
_journal_page_first              139
_journal_page_last               139
_journal_volume                  54
_journal_year                    1967
_chemical_compound_source        'Quetena, Chile'
_chemical_formula_sum            'Fe1.08 H15 Mg0.2 Mn0.25 O16 S2 Zn0.47'
_chemical_name_mineral           Botryogen
_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                 100.00
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.51
_cell_length_b                   17.85
_cell_length_c                   7.14
_cell_volume                     1319.139
_database_code_amcsd             0014694
_exptl_crystal_density_diffrn    2.240
_cod_original_formula_sum        'Fe1.08 Zn.47 Mn.25 Mg.2 S2 O16 H15'
_cod_database_code               9012606
_cod_duplicate_entry 9009934
Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 1
Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.; Mineralogiceskij Zhurnal 15 (1993) 9–17; doi:

data_9012607
_publ_section_title
;
 Crystal structure features of minerals from a series of
 tetrahedrite-freibergite
 Sample: 1
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              9
_journal_page_last               17
_journal_volume                  15
_journal_year                    1993
_chemical_formula_structural     Cu10Zn2Sb4S13
_chemical_formula_sum            'Ag0.06 Cu9.9 Fe0.06 S13 Sb3.88 Zn1.86'
_chemical_name_mineral           Tetrahedrite-(Zn)
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.382
_cell_length_b                   10.382
_cell_length_c                   10.382
_cell_formula_units_Z            2
_cell_volume                     1119.033
_database_code_amcsd             0014607
_exptl_crystal_density_diffrn    4.896
_cod_original_cell_volume        1119.034
_cod_original_formula_sum        'Cu9.9 Ag.06 Zn1.86 Fe.06 Sb3.88 S13'
_cod_database_code               9012607
Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 2
Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.; Mineralogiceskij Zhurnal 15 (1993) 9–17; doi:

data_9012608
_publ_section_title
;
 Crystal structure features of minerals from a series of
 tetrahedrite-freibergite
 Sample: 2
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              9
_journal_page_last               17
_journal_volume                  15
_journal_year                    1993
_chemical_formula_structural     Cu10Zn2Sb4S13
_chemical_formula_sum            'Ag2.88 Cu7.02 Fe0.84 S13 Sb4 Zn1.26'
_chemical_name_mineral           Tetrahedrite-(Zn)
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.529
_cell_length_b                   10.529
_cell_length_c                   10.529
_cell_formula_units_Z            2
_cell_volume                     1167.243
_database_code_amcsd             0014608
_exptl_crystal_density_diffrn    5.093
_cod_original_formula_sum        'Cu7.02 Ag2.88 Zn1.26 Fe.84 Sb4 S13'
_cod_database_code               9012608
Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 3
Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.; Mineralogiceskij Zhurnal 15 (1993) 9–17; doi:

data_9012609
_publ_section_title
;
 Crystal structure features of minerals from a series of
 tetrahedrite-freibergite
 Sample: 3
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              9
_journal_page_last               17
_journal_volume                  15
_journal_year                    1993
_chemical_formula_sum            'Ag3.54 Cu6.3 Fe0.72 S13 Sb4 Zn1.44'
_chemical_name_mineral           Freibergite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.576
_cell_length_b                   10.576
_cell_length_c                   10.576
_cell_formula_units_Z            2
_cell_volume                     1182.944
_database_code_amcsd             0014609
_exptl_crystal_density_diffrn    5.111
_cod_original_cell_volume        1182.945
_cod_original_formula_sum        'Ag3.54 Cu6.3 Zn1.44 Fe.72 Sb4 S13'
_cod_database_code               9012609
Crystal structure features of minerals from a series of tetrahedrite-freibergite Sample: 4
Rozhdestvenskaya, I. V.; Zayakina, N. V.; Samusikov, V. P.; Mineralogiceskij Zhurnal 15 (1993) 9–17; doi:

data_9012610
_publ_section_title
;
 Crystal structure features of minerals from a series of
 tetrahedrite-freibergite
 Sample: 4
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              9
_journal_page_last               17
_journal_volume                  15
_journal_year                    1993
_chemical_formula_sum            'Ag6 Cu4.2 Fe1.2 S12.01 Sb4 Zn0.6'
_chemical_name_mineral           Freibergite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.492
_cell_length_b                   10.492
_cell_length_c                   10.492
_cell_formula_units_Z            2
_cell_volume                     1154.981
_database_code_amcsd             0014610
_exptl_crystal_density_diffrn    5.442
_cod_original_formula_sum        'Ag6 (Cu4.2 Zn.6 Fe1.2) Sb4 S12.01'
_cod_database_code               9012610
The crystal structure of magnesium formate dihydrate and manganous formate dihydrate
Osaki, K.; Nakai, Y.; Watanabe, T.; Journal of the Physical Society of Japan 19 (1964) 717–723; doi:10.1143/JPSJ.19.717

data_9012611
_publ_section_title
;
 The crystal structure of magnesium formate dihydrate and manganous formate
 dihydrate
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              717
_journal_page_last               723
_journal_paper_doi               10.1143/JPSJ.19.717
_journal_volume                  19
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H4 Mg O6'
_chemical_name_mineral           Dashkovaite
_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                 97.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.69
_cell_length_b                   7.18
_cell_length_c                   9.39
_cell_volume                     580.735
_database_code_amcsd             0014166
_exptl_crystal_density_diffrn    1.697
_cod_original_formula_sum        'Mg C2 O6 H4'
_cod_database_code               9012611
The crystal structure of magnesium formate dihydrate and manganous formate dihydrate
Osaki, K.; Nakai, Y.; Watanabe, T.; Journal of the Physical Society of Japan 19 (1964) 717–723; doi:10.1143/JPSJ.19.717

data_9012612
_publ_section_title
;
 The crystal structure of magnesium formate dihydrate and manganous formate
 dihydrate
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              717
_journal_page_last               723
_journal_paper_doi               10.1143/JPSJ.19.717
_journal_volume                  19
_journal_year                    1964
_chemical_formula_structural     Mn(HCOO)2*2H2O
_chemical_formula_sum            'C2 H4 Mn 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                 97.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.86
_cell_length_b                   7.29
_cell_length_c                   9.60
_cell_volume                     614.467
_database_code_amcsd             0014167
_exptl_crystal_density_diffrn    1.935
_cod_original_formula_sum        'Mn C2 O6 H4'
_cod_database_code               9012612
_amcsd_formula_title             Mn(HCOO)2*2H2O
An electron diffraction study on the crystal structure of a new modification of chromium
Kimoto, K.; Nishida, I.; Journal of the Physical Society of Japan 22 (1967) 744–756; doi:10.1143/JPSJ.22.744

data_9012613
_publ_section_title
;
 An electron diffraction study on the crystal structure of
 a new modification of chromium
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              744
_journal_page_last               756
_journal_paper_doi               10.1143/JPSJ.22.744
_journal_volume                  22
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cr
_chemical_name_mineral           Chromium
_space_group_IT_number           200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.588
_cell_length_b                   4.588
_cell_length_c                   4.588
_cell_formula_units_Z            8
_cell_volume                     96.576
_database_code_amcsd             0014168
_exptl_crystal_density_diffrn    7.152
_cod_original_sg_symbol_H-M      'P m 3'
_cod_database_code               9012613
Lattice modulation in the long period ordered alloys studied by X-ray diffraction. III. Cu3Pd Locality: synthetic Note: Coordinates of Cu6 altered to reproduce reported bond lengths
Okamura, K.; Journal of the Physical Society of Japan 28 (1970) 1005–1014; doi:10.1143/JPSJ.28.1005

data_9012614
_publ_section_title
;Lattice modulation in the long period ordered alloys studied by X-ray
 diffraction. III. Cu3Pd Locality: synthetic Note: Coordinates of Cu6 altered
 to reproduce reported bond lengths
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1005
_journal_page_last               1014
_journal_paper_doi               10.1143/JPSJ.28.1005
_journal_volume                  28
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu21 Pd7'
_chemical_name_mineral           Nielsenite
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.710
_cell_length_b                   3.710
_cell_length_c                   25.655
_cell_formula_units_Z            1
_cell_volume                     353.118
_database_code_amcsd             0014169
_exptl_crystal_density_diffrn    9.778
_cod_database_code               9012614