LMucko/crystallography-open-database huggingface dataset:
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 280 C
Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.; American Mineralogist 89 (2004) 94–101; doi:

data_9003100
_publ_section_title
;Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray
 diffraction study Sample: T = 280 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              94
_journal_page_last               101
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al H2 Li O6.715 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.753
_cell_angle_beta                 114.273
_cell_angle_gamma                90.154
_cell_formula_units_Z            2
_cell_length_a                   8.6140
_cell_length_b                   4.9721
_cell_length_c                   7.5510
_cell_volume                     294.814
_database_code_amcsd             0003189
_diffrn_ambient_temperature      553.15
_exptl_crystal_density_diffrn    2.248
_cod_original_formula_sum        'Li Al Si2 O6.715 H2'
_cod_database_code               9003100
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 400
Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.; American Mineralogist 89 (2004) 94–101; doi:

data_9003101
_publ_section_title
;Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray
 diffraction study Sample: T = 400
;
_journal_name_full               'American Mineralogist'
_journal_page_first              94
_journal_page_last               101
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al H2 Li O6.385 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.765
_cell_angle_beta                 114.097
_cell_angle_gamma                90.160
_cell_formula_units_Z            2
_cell_length_a                   8.6269
_cell_length_b                   4.9871
_cell_length_c                   7.5718
_cell_volume                     297.372
_database_code_amcsd             0003190
_exptl_crystal_density_diffrn    2.170
_cod_original_formula_sum        'Li Al Si2 O6.385 H2'
_cod_database_code               9003101
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 468
Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.; American Mineralogist 89 (2004) 94–101; doi:

data_9003102
_publ_section_title
;Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray
 diffraction study Sample: T = 468
;
_journal_name_full               'American Mineralogist'
_journal_page_first              94
_journal_page_last               101
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.737
_cell_angle_beta                 114.072
_cell_angle_gamma                90.169
_cell_length_a                   8.6274
_cell_length_b                   4.9898
_cell_length_c                   7.5729
_cell_formula_units_Z            2
_cell_volume                     297.651
_database_code_amcsd             0003191
_exptl_crystal_density_diffrn    2.076
_cod_original_formula_sum        'Li Al Si2 O6'
_cod_database_code               9003102
The modulated crystal structure of antigorite: The m = 17 polysome
Capitani, G.; Mellini, M.; American Mineralogist 89 (2004) 147–158; doi:

data_9003103
_publ_section_title
;
 The modulated crystal structure of antigorite: The m = 17 polysome
;
_journal_name_full               'American Mineralogist'
_journal_page_first              147
_journal_page_last               158
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'H79 Mg48 O147 Si34'
_chemical_name_mineral           Antigorite
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.32
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   43.505
_cell_length_b                   9.251
_cell_length_c                   7.263
_cell_volume                     2922.326
_database_code_amcsd             0003192
_exptl_crystal_density_diffrn    2.587
_cod_original_formula_sum        'Si34 Mg48 O147 H79'
_cod_database_code               9003103
Structural variations in mercurian tetrahedrite Sample A2 from the Spring Creek Claims in Harney County, Oregon
Foit, F. F.; Hughes, J. M.; American Mineralogist 89 (2004) 159–163; doi:

data_9003104
_publ_section_title
;
 Structural variations in mercurian tetrahedrite
 Sample A2 from the Spring Creek Claims in Harney County, Oregon
;
_journal_name_full               'American Mineralogist'
_journal_page_first              159
_journal_page_last               163
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'As1.68 Cu11.622 Hg0.198 S13 Sb2.32'
_chemical_name_mineral           Tetrahedrite
_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                   10.3310
_cell_length_b                   10.3310
_cell_length_c                   10.3310
_cell_formula_units_Z            2
_cell_volume                     1102.623
_database_code_amcsd             0003193
_exptl_crystal_density_diffrn    4.830
_cod_original_formula_sum        'Cu11.622 Hg.198 (Sb2.32 As1.68) S13'
_cod_database_code               9003104
Structural variations in mercurian tetrahedrite Sample E3 from the Spring Creek Claims in Harney County, Oregon
Foit, F. F.; Hughes, J. M.; American Mineralogist 89 (2004) 159–163; doi:

data_9003105
_publ_section_title
;
 Structural variations in mercurian tetrahedrite
 Sample E3 from the Spring Creek Claims in Harney County, Oregon
;
_journal_name_full               'American Mineralogist'
_journal_page_first              159
_journal_page_last               163
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'As0.84 Cu11.28 Hg0.72 S13 Sb3.16'
_chemical_name_mineral           Tetrahedrite
_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                   10.3794
_cell_length_b                   10.3794
_cell_length_c                   10.3794
_cell_formula_units_Z            2
_cell_volume                     1118.193
_database_code_amcsd             0003194
_exptl_crystal_density_diffrn    5.126
_cod_original_formula_sum        'Cu11.28 Hg.72 (Sb3.16 As.84) S13'
_cod_database_code               9003105
Structural variations in mercurian tetrahedrite Sample C2 from the Spring Creek Claims in Harney County, Oregon
Foit, F. F.; Hughes, J. M.; American Mineralogist 89 (2004) 159–163; doi:

data_9003106
_publ_section_title
;
 Structural variations in mercurian tetrahedrite
 Sample C2 from the Spring Creek Claims in Harney County, Oregon
;
_journal_name_full               'American Mineralogist'
_journal_page_first              159
_journal_page_last               163
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'As1.08 Cu11.28 Hg0.72 S13 Sb2.92'
_chemical_name_mineral           Tetrahedrite
_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                   10.3777
_cell_length_b                   10.3777
_cell_length_c                   10.3777
_cell_formula_units_Z            2
_cell_volume                     1117.644
_database_code_amcsd             0003195
_exptl_crystal_density_diffrn    5.095
_cod_original_formula_sum        'Cu11.28 Hg.72 (Sb2.92 As1.08) S13'
_cod_database_code               9003106
Structural variations in mercurian tetrahedrite Sample E5 from the Spring Creek Claims in Harney County, Oregon
Foit, F. F.; Hughes, J. M.; American Mineralogist 89 (2004) 159–163; doi:

data_9003107
_publ_section_title
;
 Structural variations in mercurian tetrahedrite
 Sample E5 from the Spring Creek Claims in Harney County, Oregon
;
_journal_name_full               'American Mineralogist'
_journal_page_first              159
_journal_page_last               163
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'As1.2 Cu10.71 Hg1.23 S13 Sb2.8'
_chemical_name_mineral           Tetrahedrite
_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                   10.4033
_cell_length_b                   10.4033
_cell_length_c                   10.4033
_cell_formula_units_Z            2
_cell_volume                     1125.935
_database_code_amcsd             0003196
_exptl_crystal_density_diffrn    5.235
_cod_original_formula_sum        'Cu10.71 Hg1.23 (Sb2.8 As1.2) S13'
_cod_database_code               9003107
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 0 GPa
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; American Mineralogist 89 (2004) 189–196; doi:

data_9003108
_publ_section_title
;High pressure behavior, transformation and crystal structure of synthetic
 iron-free pigeonite Sample: P = 0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               196
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca0.15 Mg1.85 O6 Si2'
_chemical_name_mineral           Pigeonite
_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                 108.35
_cell_angle_gamma                90
_cell_length_a                   9.646
_cell_length_b                   8.842
_cell_length_c                   5.201
_cell_formula_units_Z            4
_cell_volume                     421.037
_database_code_amcsd             0003197
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.205
_cod_original_formula_sum        'Mg1.85 Ca.15 Si2 O6'
_cod_database_code               9003108
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 2.6 GPa
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; American Mineralogist 89 (2004) 189–196; doi:

data_9003109
_publ_section_title
;High pressure behavior, transformation and crystal structure of synthetic
 iron-free pigeonite Sample: P = 2.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               196
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca0.15 Mg1.85 O6 Si2'
_chemical_name_mineral           Pigeonite
_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                 108.12
_cell_angle_gamma                90
_cell_length_a                   9.546
_cell_length_b                   8.732
_cell_length_c                   5.149
_cell_formula_units_Z            4
_cell_volume                     407.913
_database_code_amcsd             0003198
_diffrn_ambient_pressure         2.6e+06
_exptl_crystal_density_diffrn    3.308
_cod_original_formula_sum        'Mg1.85 Ca.15 Si2 O6'
_cod_database_code               9003109
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 4.5 GPa
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; American Mineralogist 89 (2004) 189–196; doi:

data_9003110
_publ_section_title
;High pressure behavior, transformation and crystal structure of synthetic
 iron-free pigeonite Sample: P = 4.5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               196
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca0.15 Mg1.85 O6 Si2'
_chemical_name_mineral           Pigeonite
_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                 107.80
_cell_angle_gamma                90
_cell_length_a                   9.523
_cell_length_b                   8.700
_cell_length_c                   5.136
_cell_formula_units_Z            4
_cell_volume                     405.148
_database_code_amcsd             0003199
_diffrn_ambient_pressure         4.5e+06
_exptl_crystal_density_diffrn    3.330
_cod_original_formula_sum        'Mg1.85 Ca.15 Si2 O6'
_cod_database_code               9003110
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 6.2 GPa
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; American Mineralogist 89 (2004) 189–196; doi:

data_9003111
_publ_section_title
;High pressure behavior, transformation and crystal structure of synthetic
 iron-free pigeonite Sample: P = 6.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               196
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca0.15 Mg1.85 O6 Si2'
_chemical_name_mineral           Pigeonite
_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                 102.22
_cell_angle_gamma                90
_cell_length_a                   9.291
_cell_length_b                   8.679
_cell_length_c                   4.963
_cell_formula_units_Z            4
_cell_volume                     391.132
_database_code_amcsd             0003200
_diffrn_ambient_pressure         6.2e+06
_exptl_crystal_density_diffrn    3.450
_cod_original_formula_sum        'Mg1.85 Ca.15 Si2 O6'
_cod_database_code               9003111
Halite-sylvite thermoelasticity Sample: msl515031, T = 25 C, P = 0.0 kbar, cell volume = 248.61 ang**3
Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.; American Mineralogist 89 (2004) 204–210; doi:

data_9003112
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: msl515031, T = 25 C, P = 0.0 kbar, cell volume = 248.61 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     KCl
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.2879
_cell_length_b                   6.2879
_cell_length_c                   6.2879
_cell_formula_units_Z            4
_cell_volume                     248.609
_database_code_amcsd             0003201
_diffrn_ambient_pressure         0
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    1.992
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9003112
Halite-sylvite thermoelasticity Sample: r57689, T = 36 C, P = 0.4 kbar, cell volume = 249.89 ang**3
Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.; American Mineralogist 89 (2004) 204–210; doi:

data_9003113
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: r57689, T = 36 C, P = 0.4 kbar, cell volume = 249.89 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     KCl
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.2987
_cell_length_b                   6.2987
_cell_length_c                   6.2987
_cell_formula_units_Z            4
_cell_volume                     249.892
_database_code_amcsd             0003202
_diffrn_ambient_pressure         40000
_diffrn_ambient_temperature      309.15
_exptl_crystal_density_diffrn    1.982
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9003113
Halite-sylvite thermoelasticity Sample: msl515032, T = 100 C, P = 0.0 kbar, cell volume = 251.50 ang**3
Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.; American Mineralogist 89 (2004) 204–210; doi:

data_9003114
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: msl515032, T = 100 C, P = 0.0 kbar, cell volume = 251.50 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     KCl
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.3122
_cell_length_b                   6.3122
_cell_length_c                   6.3122
_cell_formula_units_Z            4
_cell_volume                     251.502
_database_code_amcsd             0003203
_diffrn_ambient_pressure         0
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    1.969
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9003114
Halite-sylvite thermoelasticity Sample: r57797, T = 100 C, P = 1.9 kbar, cell volume = 248.18 ang**3
Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.; American Mineralogist 89 (2004) 204–210; doi:

data_9003115
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: r57797, T = 100 C, P = 1.9 kbar, cell volume = 248.18 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     KCl
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.2843
_cell_length_b                   6.2843
_cell_length_c                   6.2843
_cell_formula_units_Z            4
_cell_volume                     248.182
_database_code_amcsd             0003204
_diffrn_ambient_pressure         1.9e+05
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    1.995
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9003115
Halite-sylvite thermoelasticity Sample: r57761, T = 100 C, P = 3.9 kbar, cell volume = 245.43 ang**3
Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.; American Mineralogist 89 (2004) 204–210; doi:

data_9003116
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: r57761, T = 100 C, P = 3.9 kbar, cell volume = 245.43 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     KCl
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.2610
_cell_length_b                   6.2610
_cell_length_c                   6.2610
_cell_formula_units_Z            4
_cell_volume                     245.432
_database_code_amcsd             0003205
_diffrn_ambient_pressure         3.9e+05
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    2.018
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9003116
Halite-sylvite thermoelasticity Sample: r57749, T = 100 C, P = 8.6 kbar, cell volume = 239.91 ang**3
Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.; American Mineralogist 89 (2004) 204–210; doi:

data_9003117
_publ_section_title
;
 Halite-sylvite thermoelasticity
 Sample: r57749, T = 100 C, P = 8.6 kbar, cell volume = 239.91 ang**3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               210
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     KCl
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.2137
_cell_length_b                   6.2137
_cell_length_c                   6.2137
_cell_formula_units_Z            4
_cell_volume                     239.911
_database_code_amcsd             0003206
_diffrn_ambient_pressure         8.6e+05
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    2.064
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9003117