LMucko/crystallography-open-database huggingface dataset:
A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type T = 293 K
Yamanaka, T.; Hirano, M.; Takeuchi, Y.; American Mineralogist 70 (1985) 365–374; doi:

data_9000963
_publ_section_title
;
 A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to
 orthopyroxene (Pbca) type
 T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               374
_journal_volume                  70
_journal_year                    1985
_chemical_formula_structural     'Mg (Ge O3)'
_chemical_formula_sum            'Ge Mg O3'
_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                 100.9
_cell_angle_gamma                90
_cell_length_a                   9.605
_cell_length_b                   8.940
_cell_length_c                   5.160
_cell_formula_units_Z            8
_cell_volume                     435.089
_database_code_amcsd             0000982
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.425
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9000963
_amcsd_formula_title             MgGeO3
Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6 Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints
Engelhardt, L. M.; Hall, S. R.; White, A. H.; American Mineralogist 70 (1985) 423–427; doi:

data_9000964
_publ_section_title
;Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6 Note: U(1,2) for Na
 and for Ni2 has been altered to match symmetry constraints
;
_journal_name_full               'American Mineralogist'
_journal_page_first              423
_journal_page_last               427
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C3 H9 Na Ni4 O15'
_chemical_name_mineral           Kambaldaite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.340
_cell_length_b                   10.340
_cell_length_c                   6.097
_cell_formula_units_Z            2
_cell_volume                     564.531
_database_code_amcsd             0000983
_exptl_crystal_density_diffrn    3.194
_cod_original_formula_sum        'Na Ni4 C3 O15 H9'
_cod_database_code               9000964
High-temperature structure refinements of calcite and magnesite Sample: T = 24 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000965
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 24 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.988
_cell_length_b                   4.988
_cell_length_c                   17.061
_cell_formula_units_Z            6
_cell_volume                     367.611
_database_code_amcsd             0000984
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    2.713
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9000965
High-temperature structure refinements of calcite and magnesite Sample: T = 200 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000966
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.984
_cell_length_b                   4.984
_cell_length_c                   17.121
_cell_formula_units_Z            6
_cell_volume                     368.312
_database_code_amcsd             0000985
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    2.707
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9000966
High-temperature structure refinements of calcite and magnesite Sample: T = 400 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000967
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 400 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.980
_cell_length_b                   4.980
_cell_length_c                   17.224
_cell_formula_units_Z            6
_cell_volume                     369.933
_database_code_amcsd             0000986
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    2.696
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9000967
High-temperature structure refinements of calcite and magnesite Sample: T = 600 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000968
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 600 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.978
_cell_length_b                   4.978
_cell_length_c                   17.354
_cell_formula_units_Z            6
_cell_volume                     372.426
_database_code_amcsd             0000987
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    2.678
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9000968
High-temperature structure refinements of calcite and magnesite Sample: T = 750 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000969
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 750 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.978
_cell_length_b                   4.978
_cell_length_c                   17.462
_cell_formula_units_Z            6
_cell_volume                     374.744
_database_code_amcsd             0000988
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    2.661
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9000969
High-temperature structure refinements of calcite and magnesite Sample: T = 800 C Note: B33 of Ca has been altered from the reported value
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000970
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 800 C
 Note: B33 of Ca has been altered from the reported value
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.976
_cell_length_b                   4.976
_cell_length_c                   17.488
_cell_formula_units_Z            6
_cell_volume                     375.000
_database_code_amcsd             0000989
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    2.659
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9000970
High-temperature structure refinements of calcite and magnesite Sample: T = 24 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000971
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 24 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_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                   4.635
_cell_length_b                   4.635
_cell_length_c                   15.019
_cell_formula_units_Z            6
_cell_volume                     279.429
_database_code_amcsd             0000990
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.006
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9000971
High-temperature structure refinements of calcite and magnesite Sample: T = 200 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000972
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_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                   4.639
_cell_length_b                   4.639
_cell_length_c                   15.065
_cell_formula_units_Z            6
_cell_volume                     280.769
_database_code_amcsd             0000991
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    2.992
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9000972
High-temperature structure refinements of calcite and magnesite Sample: T = 300 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000973
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_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                   4.642
_cell_length_b                   4.642
_cell_length_c                   15.096
_cell_formula_units_Z            6
_cell_volume                     281.710
_database_code_amcsd             0000992
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    2.982
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9000973
High-temperature structure refinements of calcite and magnesite Sample: T = 400 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000974
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 400 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_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                   4.646
_cell_length_b                   4.646
_cell_length_c                   15.139
_cell_formula_units_Z            6
_cell_volume                     283.000
_database_code_amcsd             0000993
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    2.968
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9000974
High-temperature structure refinements of calcite and magnesite Sample: T = 500 C
Markgraf, S. A.; Reeder, R. J.; American Mineralogist 70 (1985) 590–600; doi:

data_9000975
_publ_section_title
;
 High-temperature structure refinements of calcite and magnesite
 Sample: T = 500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              590
_journal_page_last               600
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_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                   4.650
_cell_length_b                   4.650
_cell_length_c                   15.186
_cell_formula_units_Z            6
_cell_volume                     284.367
_database_code_amcsd             0000994
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    2.954
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9000975
New data on lacroixite, NaAlFPO4
Lahti, S. I.; Pajunen, A.; American Mineralogist 70 (1985) 849–855; doi:

data_9000976
_publ_section_title
;
 New data on lacroixite, NaAlFPO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              849
_journal_page_last               855
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'Al F Na O4 P'
_chemical_name_mineral           Lacroixite
_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                 115.47
_cell_angle_gamma                90
_cell_length_a                   6.414
_cell_length_b                   8.207
_cell_length_c                   6.885
_cell_formula_units_Z            4
_cell_volume                     327.201
_database_code_amcsd             0000996
_exptl_crystal_density_diffrn    3.328
_cod_original_formula_sum        'Na Al F P O4'
_cod_database_code               9000976
Crystal structure refinement and crystal chemistry of pumpellyite
Yoshiasa, A.; Matsumoto, T.; American Mineralogist 70 (1985) 1011–1019; doi:

data_9000977
_publ_section_title
;
 Crystal structure refinement and crystal chemistry of pumpellyite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1011
_journal_page_last               1019
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'Al2.8 Ca2 Fe0.2 H4 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Al)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.41
_cell_angle_gamma                90
_cell_length_a                   8.812
_cell_length_b                   5.895
_cell_length_c                   19.116
_cell_formula_units_Z            4
_cell_volume                     984.721
_database_code_amcsd             0000999
_exptl_crystal_density_diffrn    3.232
_cod_original_formula_sum        'Ca2 Al2.8 Fe.2 Si3 O14 H4'
_cod_database_code               9000977
The crystal chemistry of iron-nickel thiospinels Note: structure from ICSD
Vaughan, D. J.; Craig, J. R.; American Mineralogist 70 (1985) 1036–1043; doi:

data_9000978
_publ_section_title
;
 The crystal chemistry of iron-nickel thiospinels
 Note: structure from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1036
_journal_page_last               1043
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'Fe Ni2 S4'
_chemical_name_mineral           Violarite
_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                   9.465
_cell_length_b                   9.465
_cell_length_c                   9.465
_cell_formula_units_Z            8
_cell_volume                     847.934
_database_code_amcsd             0001000
_exptl_crystal_density_diffrn    4.723
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9000978
The crystal structure of wroewolfeite, a mineral with [Cu4(OH)6(SO4)(H2O)] sheets
Hawthorne, F. C.; Groat, L. A.; American Mineralogist 70 (1985) 1050–1055; doi:

data_9000979
_publ_section_title
;
 The crystal structure of wroewolfeite, a mineral with
 [Cu4(OH)6(SO4)(H2O)] sheets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1050
_journal_page_last               1055
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'Cu4 H10 O12 S'
_chemical_name_mineral           Wroewolfeite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.045
_cell_length_b                   5.646
_cell_length_c                   14.337
_cell_volume                     488.467
_exptl_crystal_density_diffrn    3.320
_cod_depositor_comments
;

2017-09-05
Z value inserted to be consistent with given formula
Water oxygen renamed so they are recognized as oxygen
                 miguel
;
_cod_original_formula_sum        'Cu4 S O12 H10'
_cod_database_code               9000979
_database_code_amcsd 0001001
Sb10S15, a Pb-free analogue of fueloeppite, Pb3Sb8S15
Swinnea, J. S.; Tenorio, A. J.; Steinfink, H.; American Mineralogist 70 (1985) 1056–1058; doi:

data_9000980
_publ_section_title
;
 Sb10S15, a Pb-free analogue of fueloeppite, Pb3Sb8S15
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1056
_journal_page_last               1058
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'S3 Sb1.966'
_chemical_name_mineral           Fuloppite
_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                 93.8
_cell_angle_gamma                90
_cell_length_a                   13.393
_cell_length_b                   11.717
_cell_length_c                   16.737
_cell_formula_units_Z            20
_cell_volume                     2620.692
_database_code_amcsd             0001002
_exptl_crystal_density_diffrn    4.252
_cod_original_formula_sum        'Sb9.83 S15'
_cod_database_code               9000980
Electron ordering in ilvaite, a mixed-valence iron silicate: crystal structure refinement at 138 K Sample: T = 138 K
Ghose, S.; Sen Gupta, P. K.; Schlemper, E. O.; American Mineralogist 70 (1985) 1248–1252; doi:

data_9000981
_publ_section_title
;
 Electron ordering in ilvaite, a mixed-valence iron
 silicate: crystal structure refinement at 138 K
 Sample: T = 138 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1248
_journal_page_last               1252
_journal_volume                  70
_journal_year                    1985
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.21
_cell_angle_gamma                90
_cell_length_a                   13.008
_cell_length_b                   8.784
_cell_length_c                   5.836
_cell_formula_units_Z            4
_cell_volume                     666.830
_database_code_amcsd             0001003
_diffrn_ambient_temperature      138
_exptl_crystal_density_diffrn    4.072
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9000981