LMucko/crystallography-open-database huggingface dataset:
Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue
Dowty, E.; Clark, J. R.; Zeitschrift fur Kristallographie 138 (1973) 64–99; doi:

data_9008223
_publ_section_title
;
 Crystal-structure refinements for orthorhombic boracite,
 Mg3B7O13Cl, and a trigonal, iron-rich analogue
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              64
_journal_page_last               99
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Bischofferode, Thuringen, Germany'
_chemical_formula_sum            'B7 Cl Fe2.4 Mg0.6 O13'
_chemical_name_mineral           Congolite
_space_group_IT_number           161
_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                   8.612
_cell_length_b                   8.612
_cell_length_c                   21.0650
_cell_formula_units_Z            6
_cell_volume                     1353.007
_database_code_amcsd             0010745
_exptl_crystal_density_diffrn    3.444
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        '(Fe2.4 Mg.6) B7 O13 Cl'
_cod_database_code               9008223
High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 28 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008224
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 28 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.979
_cell_length_b                   4.979
_cell_length_c                   6.950
_cell_formula_units_Z            4
_cell_volume                     172.294
_database_code_amcsd             0010747
_diffrn_ambient_temperature      301.15
_exptl_crystal_density_diffrn    2.316
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008224
High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 65 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008225
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 65 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.982
_cell_length_b                   4.982
_cell_length_c                   6.963
_cell_formula_units_Z            4
_cell_volume                     172.824
_database_code_amcsd             0010748
_diffrn_ambient_temperature      338.15
_exptl_crystal_density_diffrn    2.309
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008225
High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 103 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008226
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 103 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.986
_cell_length_b                   4.986
_cell_length_c                   6.977
_cell_formula_units_Z            4
_cell_volume                     173.450
_database_code_amcsd             0010749
_diffrn_ambient_temperature      376.15
_exptl_crystal_density_diffrn    2.301
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008226
High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 142 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008227
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 142 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.989
_cell_length_b                   4.989
_cell_length_c                   6.991
_cell_formula_units_Z            4
_cell_volume                     174.007
_database_code_amcsd             0010750
_diffrn_ambient_temperature      415.15
_exptl_crystal_density_diffrn    2.294
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008227
High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 179 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008228
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 179 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.993
_cell_length_b                   4.993
_cell_length_c                   7.005
_cell_formula_units_Z            4
_cell_volume                     174.635
_database_code_amcsd             0010751
_diffrn_ambient_temperature      452.15
_exptl_crystal_density_diffrn    2.285
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008228
High-temperature single-crystal study of the cristobalite inversion Note: Cell has been corrected Sample: T = 210 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008229
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Note: Cell has been corrected
 Sample: T = 210 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.996
_cell_length_b                   4.996
_cell_length_c                   7.016
_cell_formula_units_Z            4
_cell_volume                     175.119
_database_code_amcsd             0010752
_diffrn_ambient_temperature      483.15
_exptl_crystal_density_diffrn    2.279
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008229
High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C
Peacor D P; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008230
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Sample: T = 221 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_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                   7.166
_cell_length_b                   7.166
_cell_length_c                   7.166
_cell_volume                     367.985
_database_code_amcsd             0010753
_diffrn_ambient_temperature      494.15
_exptl_crystal_density_diffrn    2.169
_cell_formula_units_Z            4
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008230
High-temperature single-crystal study of the cristobalite inversion Sample: T = 221 C
Peacor D P; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008231
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Sample: T = 221 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_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                   7.166
_cell_length_b                   7.166
_cell_length_c                   7.166
_cell_volume                     367.985
_database_code_amcsd             0010754
_diffrn_ambient_temperature      494.15
_exptl_crystal_density_diffrn    2.169
_cell_formula_units_Z            4
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008231
High-temperature single-crystal study of the cristobalite inversion Sample: T = 248 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008232
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Sample: T = 248 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_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                   7.166
_cell_length_b                   7.166
_cell_length_c                   7.166
_cell_volume                     367.985
_cell_formula_units_Z            4
_database_code_amcsd             0010755
_diffrn_ambient_temperature      521.15
_exptl_crystal_density_diffrn    2.169
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008232
High-temperature single-crystal study of the cristobalite inversion Sample: T = 273 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008233
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Sample: T = 273 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_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                   7.166
_cell_length_b                   7.166
_cell_length_c                   7.166
_cell_volume                     367.985
_cell_formula_units_Z            4
_database_code_amcsd             0010756
_diffrn_ambient_temperature      546.15
_exptl_crystal_density_diffrn    2.169
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008233
High-temperature single-crystal study of the cristobalite inversion Sample: T = 310 C
Peacor, D. R.; Zeitschrift fur Kristallographie 138 (1973) 274–298; doi:

data_9008234
_publ_section_title
;
 High-temperature single-crystal study of the cristobalite inversion
 Sample: T = 310 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              274
_journal_page_last               298
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Ellora Caves, Hyderabad State, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_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                   7.166
_cell_length_b                   7.166
_cell_length_c                   7.166
_cell_volume                     367.985
_cell_formula_units_Z            4
_database_code_amcsd             0010757
_diffrn_ambient_temperature      583.15
_exptl_crystal_density_diffrn    2.169
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008234
The interpretation of partial Patterson functions and its application to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
Takeuchi, Y.; Kudoh, Y.; Haga, N.; Zeitschrift fur Kristallographie 138 (1973) 313–336; doi:

data_9008235
_publ_section_title
;
 The interpretation of partial Patterson functions and its application
 to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              313
_journal_page_last               336
_journal_volume                  138
_journal_year                    1973
_chemical_compound_source        'Tanohata mine, Japan'
_chemical_formula_sum            'H Mn2 Na O9 Si3'
_chemical_name_mineral           Serandite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.53
_cell_angle_beta                 94.12
_cell_angle_gamma                102.75
_cell_formula_units_Z            2
_cell_length_a                   7.683
_cell_length_b                   6.889
_cell_length_c                   6.747
_cell_volume                     347.285
_database_code_amcsd             0010758
_exptl_crystal_density_diffrn    3.463
_cod_original_formula_sum        'Mn2 Na Si3 O9 H'
_cod_database_code               9008235
The interpretation of partial Patterson functions and its application to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
Takeuchi, Y.; Kudoh, Y.; Haga, N.; Zeitschrift fur Kristallographie 138 (1973) 313–336; doi:

data_9008236
_publ_section_title
;
 The interpretation of partial Patterson functions and its application to
 structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              313
_journal_page_last               336
_journal_volume                  138
_journal_year                    1973
_chemical_formula_sum            'Al4 Ba Na2 O16 Si4'
_chemical_name_mineral           Banalsite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.496
_cell_length_b                   9.983
_cell_length_c                   16.755
_cell_formula_units_Z            4
_cell_volume                     1421.085
_database_code_amcsd             0010759
_exptl_crystal_density_diffrn    3.083
_cod_original_formula_sum        'Ba Na2 (Al4 Si4) O16'
_cod_database_code               9008236
Refinement of the crystal structure of gibbsite, Al(OH)3 Locality: Langesundfjord, Norway
Saalfeld, H.; Wedde, M.; Zeitschrift fur Kristallographie 139 (1974) 129–135; doi:

data_9008237
_publ_section_title
;
 Refinement of the crystal structure of gibbsite, Al(OH)3
 Locality: Langesundfjord, Norway
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               135
_journal_volume                  139
_journal_year                    1974
_chemical_formula_sum            'Al H3 O3'
_chemical_name_mineral           Gibbsite
_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                 94.54
_cell_angle_gamma                90
_cell_length_a                   8.684
_cell_length_b                   5.078
_cell_length_c                   9.736
_cell_formula_units_Z            8
_cell_volume                     427.985
_exptl_crystal_density_diffrn    2.421
_cod_original_formula_sum        'Al O3 H3'
_cod_database_code               9008237
_cod_duplicate_entry 1200016
The crystal structure of jordanite, Pb28As12S46
Ito, T.; Nowacki, W.; Zeitschrift fur Kristallographie 139 (1974) 161–185; doi:

data_9008238
_publ_section_title
;
 The crystal structure of jordanite, Pb28As12S46
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              161
_journal_page_last               185
_journal_volume                  139
_journal_year                    1974
_chemical_compound_source        'Binnatal, Switzerland'
_chemical_formula_sum            'As6 Pb13.88 S23'
_chemical_name_mineral           Jordanite
_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                 117.79
_cell_angle_gamma                90
_cell_length_a                   8.918
_cell_length_b                   31.899
_cell_length_c                   8.462
_cell_formula_units_Z            2
_cell_volume                     2129.586
_database_code_amcsd             0010762
_exptl_crystal_density_diffrn    6.336
_cod_original_formula_sum        'Pb13.88 As6 S23'
_cod_database_code               9008238
The crystal structure of plagionite, Pb5Sb8S17, the second member in the homologous series Pb3+2nSb8S15+2n
Cho, S. A.; Wuensch, B. J.; Zeitschrift fur Kristallographie 139 (1974) 351–378; doi:

data_9008239
_publ_section_title
;
 The crystal structure of plagionite, Pb5Sb8S17,
 the second member in the homologous series Pb3+2nSb8S15+2n
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              351
_journal_page_last               378
_journal_volume                  139
_journal_year                    1974
_chemical_compound_source        'Wolfsberg, Harz, Germany'
_chemical_formula_sum            'Pb5 S17 Sb8'
_chemical_name_mineral           Plagionite
_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                 107.168
_cell_angle_gamma                90
_cell_length_a                   13.4857
_cell_length_b                   11.8656
_cell_length_c                   19.9834
_cell_formula_units_Z            4
_cell_volume                     3055.185
_database_code_amcsd             0010763
_exptl_crystal_density_diffrn    5.555
_cod_original_formula_sum        'Pb5 Sb8 S17'
_cod_database_code               9008239
Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn
Edenharter, A.; Nowacki, W.; Zeitschrift fur Kristallographie 140 (1974) 87–99; doi:

data_9008240
_publ_section_title
;
 Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              87
_journal_page_last               99
_journal_volume                  140
_journal_year                    1974
_chemical_compound_source        'Andreasberg, Harz, Germany'
_chemical_formula_sum            'Ag4 Mn S6 Sb2'
_chemical_name_mineral           Samsonite
_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                 92.63
_cell_angle_gamma                90
_cell_length_a                   10.362
_cell_length_b                   8.101
_cell_length_c                   6.647
_cell_formula_units_Z            2
_cell_volume                     557.378
_database_code_amcsd             0010764
_exptl_crystal_density_diffrn    5.495
_cod_original_formula_sum        'Mn Sb2 Ag4 S6'
_cod_database_code               9008240