LMucko/crystallography-open-database huggingface dataset:
H2O ordering and superstructures in armenite, BaCa2Al6Si9O30.2H2O: A single-crystal X-ray and TEM study sample from Remigny, Quebec, Canada
Armbruster, T.; Czank, M.; American Mineralogist 77 (1992) 422–430; doi:

data_9001420
_publ_section_title
;
 H2O ordering and superstructures in armenite, BaCa2Al6Si9O30.2H2O: A
 single-crystal X-ray and TEM study
 sample from Remigny, Quebec, Canada
;
_journal_name_full               'American Mineralogist'
_journal_page_first              422
_journal_page_last               430
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al6 Ba Ca2 H2 O32 Si9'
_chemical_name_mineral           Armenite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.874
_cell_length_b                   18.660
_cell_length_c                   10.697
_cell_volume                     2769.334
_database_code_amcsd             0001458
_exptl_crystal_density_diffrn    2.749
_cod_original_formula_sum        'Ba Ca2 Al6 Si9 O32 H2'
_cod_database_code               9001420
Crystal structure refinement of a spinelloid in the system Fe3O4-Fe2SiO4
Ross, C. R.; Armbruster, T.; Canil, D.; American Mineralogist 77 (1992) 507–511; doi:

data_9001421
_publ_section_title
;
 Crystal structure refinement of a spinelloid in the system Fe3O4-Fe2SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              507
_journal_page_last               511
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2.68 O4 Si0.32'
_chemical_name_mineral           Spinelloid
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   5.867
_cell_length_b                   8.917
_cell_length_c                   8.362
_cell_volume                     437.467
_database_code_amcsd             0001459
_exptl_crystal_density_diffrn    5.071
_cod_original_formula_sum        'Fe2.68 Si.32 O4'
_cod_database_code               9001421
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py100-Alm0 at T = 100 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001422
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py100-Alm0 at T = 100 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.441
_cell_length_b                   11.441
_cell_length_c                   11.441
_cell_formula_units_Z            8
_cell_volume                     1497.587
_database_code_amcsd             0001460
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.576
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9001422
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py80-Alm20 at T = 100 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001423
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py80-Alm20 at T = 100 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe0.6 Mg2.4 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.458
_cell_length_b                   11.458
_cell_length_c                   11.458
_cell_formula_units_Z            8
_cell_volume                     1504.272
_database_code_amcsd             0001461
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.727
_cod_original_formula_sum        '(Mg2.4 Fe.6) Al2 Si3 O12'
_cod_database_code               9001423
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py60-Alm40 at T = 100 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001424
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py60-Alm40 at T = 100 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe1.2 Mg1.8 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.471
_cell_length_b                   11.471
_cell_length_c                   11.471
_cell_formula_units_Z            8
_cell_volume                     1509.398
_database_code_amcsd             0001462
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.881
_cod_original_formula_sum        '(Mg1.8 Fe1.2) Al2 Si3 O12'
_cod_database_code               9001424
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py20-Alm80 at T = 100 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001425
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py20-Alm80 at T = 100 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe2.4 Mg0.6 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.502
_cell_length_b                   11.502
_cell_length_c                   11.502
_cell_formula_units_Z            8
_cell_volume                     1521.669
_database_code_amcsd             0001463
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    4.180
_cod_original_formula_sum        '(Mg.6 Fe2.4) Al2 Si3 O12'
_cod_database_code               9001425
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py0-Alm100 at T = 100 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001426
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py0-Alm100 at T = 100 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe3 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.512
_cell_length_b                   11.512
_cell_length_c                   11.512
_cell_formula_units_Z            8
_cell_volume                     1525.641
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    4.334
_cod_original_formula_sum        'Fe3 Al2 Si3 O12'
_cod_database_code               9001426
_database_code_amcsd 0001464
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py100-Alm0 at T = 293 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001427
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py100-Alm0 at T = 293 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.452
_cell_length_b                   11.452
_cell_length_c                   11.452
_cell_formula_units_Z            8
_cell_volume                     1501.910
_database_code_amcsd             0001465
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.566
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9001427
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py80-Alm20 at T = 293 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001428
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py80-Alm20 at T = 293 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe0.6 Mg2.4 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.473
_cell_length_b                   11.473
_cell_length_c                   11.473
_cell_formula_units_Z            8
_cell_volume                     1510.188
_database_code_amcsd             0001466
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.713
_cod_original_formula_sum        '(Mg2.4 Fe.6) Al2 Si3 O12'
_cod_database_code               9001428
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py60-Alm40 at T = 293 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001429
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py60-Alm40 at T = 293 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe1.2 Mg1.8 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.485
_cell_length_b                   11.485
_cell_length_c                   11.485
_cell_formula_units_Z            8
_cell_volume                     1514.932
_database_code_amcsd             0001467
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.867
_cod_original_cell_volume        1514.931
_cod_original_formula_sum        '(Mg1.8 Fe1.2) Al2 Si3 O12'
_cod_database_code               9001429
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py20-Alm80 at T = 293 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001430
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py20-Alm80 at T = 293 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe2.4 Mg0.6 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.516
_cell_length_b                   11.516
_cell_length_c                   11.516
_cell_formula_units_Z            8
_cell_volume                     1527.232
_database_code_amcsd             0001468
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.165
_cod_original_formula_sum        '(Mg.6 Fe2.4) Al2 Si3 O12'
_cod_database_code               9001430
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at 100 and 293 K Py0-Alm100 at T = 293 K, Pyrope - Almandine join
Armbruster, T.; Geiger, C. A.; Lager, G. A.; American Mineralogist 77 (1992) 512–521; doi:

data_9001431
_publ_section_title
;Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
 100 and 293 K Py0-Alm100 at T = 293 K, Pyrope - Almandine join
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Fe3 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.525
_cell_length_b                   11.525
_cell_length_c                   11.525
_cell_formula_units_Z            8
_cell_volume                     1530.815
_database_code_amcsd             0001469
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.319
_cod_original_formula_sum        'Fe3 Al2 Si3 O12'
_cod_database_code               9001431
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1500 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001432
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1500 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni 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_length_a                   8.05154
_cell_length_b                   8.05154
_cell_length_c                   8.05154
_cell_formula_units_Z            8
_cell_volume                     521.960
_database_code_amcsd             0001470
_exptl_crystal_density_diffrn    4.496
_exptl_crystal_thermal_history
'quench temperature = 1500 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9001432
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1400 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001433
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1400 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al1.999 Ni0.999 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_length_a                   8.05221
_cell_length_b                   8.05221
_cell_length_c                   8.05221
_cell_formula_units_Z            8
_cell_volume                     522.090
_database_code_amcsd             0001471
_exptl_crystal_density_diffrn    4.493
_exptl_crystal_thermal_history
'quench temperature = 1400 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ni.999 Al1.999 O4'
_cod_database_code               9001433
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1200 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001434
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1200 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni 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_length_a                   8.05146
_cell_length_b                   8.05146
_cell_length_c                   8.05146
_cell_formula_units_Z            8
_cell_volume                     521.944
_database_code_amcsd             0001472
_exptl_crystal_density_diffrn    4.496
_exptl_crystal_thermal_history
'quench temperature = 1200 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9001434
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1100 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001435
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1100 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2.001 Ni0.999 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_length_a                   8.05038
_cell_length_b                   8.05038
_cell_length_c                   8.05038
_cell_formula_units_Z            8
_cell_volume                     521.734
_database_code_amcsd             0001473
_exptl_crystal_density_diffrn    4.497
_exptl_crystal_thermal_history
'quench temperature = 1100 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni.999 Al2.001) O4'
_cod_database_code               9001435
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1000 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001436
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1000 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni 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_length_a                   8.04899
_cell_length_b                   8.04899
_cell_length_c                   8.04899
_cell_formula_units_Z            8
_cell_volume                     521.464
_database_code_amcsd             0001474
_exptl_crystal_density_diffrn    4.500
_exptl_crystal_thermal_history
'quench temperature = 1000 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9001436
_amcsd_formula_title             NiAl2O4