LMucko/crystallography-open-database huggingface dataset:
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample W, T = 873 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001366
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample W, T = 873 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.12501
_cell_length_b                   8.12501
_cell_length_c                   8.12501
_cell_volume                     536.379
_database_code_amcsd             0001400
_diffrn_ambient_temperature      873
_exptl_crystal_density_diffrn    3.524
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001366
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 923 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001367
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 923 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.12508
_cell_length_b                   8.12508
_cell_length_c                   8.12508
_cell_volume                     536.393
_database_code_amcsd             0001401
_diffrn_ambient_temperature      923
_exptl_crystal_density_diffrn    3.523
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9001367
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample W, T = 973 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001368
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample W, T = 973 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13219
_cell_length_b                   8.13219
_cell_length_c                   8.13219
_cell_volume                     537.802
_database_code_amcsd             0001402
_diffrn_ambient_temperature      973
_exptl_crystal_density_diffrn    3.515
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001368
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 973 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001369
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 973 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.12872
_cell_length_b                   8.12872
_cell_length_c                   8.12872
_cell_volume                     537.114
_database_code_amcsd             0001403
_diffrn_ambient_temperature      973
_exptl_crystal_density_diffrn    3.519
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001369
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 1023 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001370
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 1023 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13235
_cell_length_b                   8.13235
_cell_length_c                   8.13235
_cell_volume                     537.834
_database_code_amcsd             0001404
_diffrn_ambient_temperature      1023
_exptl_crystal_density_diffrn    3.515
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001370
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample W, T = 1073 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001371
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample W, T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13927
_cell_length_b                   8.13927
_cell_length_c                   8.13927
_cell_volume                     539.208
_database_code_amcsd             0001405
_diffrn_ambient_temperature      1073
_exptl_crystal_density_diffrn    3.506
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001371
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 1073 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001372
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13613
_cell_length_b                   8.13613
_cell_length_c                   8.13613
_cell_volume                     538.584
_database_code_amcsd             0001406
_diffrn_ambient_temperature      1073
_exptl_crystal_density_diffrn    3.510
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001372
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 1123 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001373
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 1123 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al1.99 Mg1.01 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13991
_cell_length_b                   8.13991
_cell_length_c                   8.13991
_cell_volume                     539.335
_database_code_amcsd             0001407
_diffrn_ambient_temperature      1123
_exptl_crystal_density_diffrn    3.503
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg1.01 Al1.99) O4'
_cod_database_code               9001373
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample W, T = 1173 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001374
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample W, T = 1173 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.14616
_cell_length_b                   8.14616
_cell_length_c                   8.14616
_cell_volume                     540.579
_database_code_amcsd             0001408
_diffrn_ambient_temperature      1173
_exptl_crystal_density_diffrn    3.497
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001374
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 1173 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001375
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 1173 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.14369
_cell_length_b                   8.14369
_cell_length_c                   8.14369
_cell_volume                     540.087
_database_code_amcsd             0001409
_diffrn_ambient_temperature      1173
_exptl_crystal_density_diffrn    3.500
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.99 Al2.01) O4'
_cod_database_code               9001375
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample W, T = 1273 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001376
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample W, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.15409
_cell_length_b                   8.15409
_cell_length_c                   8.15409
_cell_volume                     542.159
_database_code_amcsd             0001410
_diffrn_ambient_temperature      1273
_exptl_crystal_density_diffrn    3.486
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9001376
A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures up to 1273 K sample UC, T = 1273 K
Peterson, R. C.; Lager, G. A.; Hitterman, R. L.; American Mineralogist 76 (1991) 1455–1458; doi:

data_9001377
_publ_section_title
;
 A time-of-flight neutron powder diffraction study of MgAl2O4 at temperatures
 up to 1273 K
 sample UC, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1458
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.15090
_cell_length_b                   8.15090
_cell_length_c                   8.15090
_cell_volume                     541.523
_database_code_amcsd             0001411
_diffrn_ambient_temperature      1273
_exptl_crystal_density_diffrn    3.490
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9001377
Ashburtonite, a new bicarbonate-silicate mineral from Ashburton Downs, Western Australia: Description and structure determination
Grice, J. D.; Nickel, E. H.; Gault, R. A.; American Mineralogist 76 (1991) 1701–1707; doi:

data_9001378
_publ_section_title
;Ashburtonite, a new bicarbonate-silicate mineral from Ashburton Downs,
 Western Australia: Description and structure determination
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1701
_journal_page_last               1707
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'C4 Cl Cu4 O28 Pb4 Si4'
_chemical_name_mineral           Ashburtonite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.234
_cell_length_b                   14.234
_cell_length_c                   6.103
_cell_formula_units_Z            2
_cell_volume                     1236.509
_database_code_amcsd             0001412
_exptl_crystal_density_diffrn    4.638
_cod_original_formula_sum        'Si4 Cu4 Pb4 C4 O28 Cl'
_cod_database_code               9001378
The crystal structure of cianciulliite, Mn(Mg,Mn)2Zn2(OH)10*2-4H2O
Grice, J. D.; Dunn, P. J.; American Mineralogist 76 (1991) 1711–1747; doi:

data_9001379
_publ_section_title
;
 The crystal structure of cianciulliite, Mn(Mg,Mn)2Zn2(OH)10*2-4H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1711
_journal_page_last               1747
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Mg2 Mn O14 Zn2'
_chemical_name_mineral           Cianciulliite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.23
_cell_angle_gamma                90
_cell_length_a                   15.405
_cell_length_b                   6.344
_cell_length_c                   5.562
_cell_formula_units_Z            2
_cell_volume                     533.163
_database_code_amcsd             0001413
_exptl_crystal_density_diffrn    2.855
_cod_original_formula_sum        'Mn Mg2 Zn2 O14'
_cod_database_code               9001379
The crystal structure of B-free kornerupine: Conditions favoring the incorporation of variable amounts of B through B = Si substitution in kornerupine Note: Sample is from the Sinyoni Claims in the Limpopo Belt near Beit Bridge, Zimbabwe
Klaska, R.; Grew, E. S.; American Mineralogist 76 (1991) 1824–1835; doi:

data_9001380
_publ_section_title
;The crystal structure of B-free kornerupine: Conditions favoring the
 incorporation of variable amounts of B through B = Si substitution in
 kornerupine Note: Sample is from the Sinyoni Claims in the Limpopo Belt near
 Beit Bridge, Zimbabwe
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1824
_journal_page_last               1835
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
'Al7.08 F0.25 Fe0.332 H0.6 Mg3.158 O21.75 Si3.56'
_chemical_name_mineral           Kornerupine
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.117
_cell_length_b                   13.728
_cell_length_c                   6.749
_cell_volume                     1493.244
_database_code_amcsd             0001414
_exptl_crystal_density_diffrn    3.290
_cod_original_cell_volume        1493.245
_cod_original_formula_sum        'Fe.332 Mg3.158 Al7.08 Si3.56 H.6 O21.75 F.25'
_cod_database_code               9001380
The crystal chemistry of the milarite-group minerals sample #25 from Guanajuato Note: U(1,2) of WatB/NaB changed to match symmetry constraints
Hawthorne, F. C.; Kimata, M.; Cerny, P.; Ball, N. A.; Rossman, G. R.; Grice, J. D.; American Mineralogist 76 (1991) 1836–1856; doi:

data_9001381
_publ_section_title
;
 The crystal chemistry of the milarite-group minerals
 sample #25 from Guanajuato
 Note: U(1,2) of WatB/NaB changed to match symmetry constraints
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1836
_journal_page_last               1856
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
'Al0.81 Be2.19 Ca2 H3.52 K Na0.188 O30.668 Si12'
_chemical_name_mineral           Milarite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.410
_cell_length_b                   10.410
_cell_length_c                   13.845
_cell_volume                     1299.347
_database_code_amcsd             0001415
_exptl_crystal_density_diffrn    2.547
_cod_original_formula_sum
'Ca2 Na.188 O30.668 K Si12 (Al.81 Be2.19) H3.52'
_cod_database_code               9001381
The crystal chemistry of the milarite-group minerals sample #33 from Tittling Note: U(1,2) of WatB/NaB/KC changed to match symmetry constraints
Hawthorne, F. C.; Kimata, M.; Cerny, P.; Ball, N. A.; Rossman, G. R.; Grice, J. D.; American Mineralogist 76 (1991) 1836–1856; doi:

data_9001382
_publ_section_title
;
 The crystal chemistry of the milarite-group minerals
 sample #33 from Tittling
 Note: U(1,2) of WatB/NaB/KC changed to match symmetry constraints
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1836
_journal_page_last               1856
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
'Al0.729 Be2.271 Ca1.968 H4.48 K Na0.24 O30.72 Si12 Y0.032'
_chemical_name_mineral           Milarite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.404
_cell_length_b                   10.404
_cell_length_c                   13.825
_cell_volume                     1295.975
_database_code_amcsd             0001416
_exptl_crystal_density_diffrn    2.561
_cod_original_cell_volume        1295.974
_cod_original_formula_sum
'Ca1.968 Y.032 Na.24 O30.72 K Si12 (Al.729 Be2.271) H4.48'
_cod_database_code               9001382