LMucko/crystallography-open-database huggingface dataset:
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.426Bi.574S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003467
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.426Bi.574S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi0.573 S3 Sb1.427'
_chemical_name_mineral           Stibnite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.318
_cell_length_b                   3.8872
_cell_length_c                   11.228
_cell_formula_units_Z            4
_cell_volume                     493.980
_database_code_amcsd             0003557
_exptl_crystal_density_diffrn    5.240
_cod_original_formula_sum        '(Sb1.427 Bi.573) S3'
_cod_database_code               9003467
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb.910Bi1.090S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003468
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb.910Bi1.090S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi1.09 S3 Sb0.91'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.256
_cell_length_b                   3.8966
_cell_length_c                   11.205
_cell_formula_units_Z            4
_cell_volume                     491.453
_database_code_amcsd             0003558
_exptl_crystal_density_diffrn    5.876
_cod_original_formula_sum        '(Sb.91 Bi1.09) S3'
_cod_database_code               9003468
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.387Bi1.613S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003469
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb0.387Bi1.613S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi1.612 S3 Sb0.388'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.336
_cell_length_b                   3.9562
_cell_length_c                   11.186
_cell_formula_units_Z            4
_cell_volume                     501.664
_database_code_amcsd             0003559
_exptl_crystal_density_diffrn    6.359
_cod_original_formula_sum        '(Sb.388 Bi1.612) S3'
_cod_database_code               9003469
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.362Bi1.638S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003470
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb0.362Bi1.638S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi1.638 S3 Sb0.362'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.310
_cell_length_b                   3.9526
_cell_length_c                   11.119
_cell_formula_units_Z            4
_cell_volume                     497.063
_database_code_amcsd             0003560
_exptl_crystal_density_diffrn    6.449
_cod_original_formula_sum        '(Sb.362 Bi1.638) S3'
_cod_database_code               9003470
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.320Bi1.680S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003471
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb0.320Bi1.680S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi1.68 S3 Sb0.32'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.3180
_cell_length_b                   3.9547
_cell_length_c                   11.1631
_cell_formula_units_Z            4
_cell_volume                     499.652
_database_code_amcsd             0003561
_exptl_crystal_density_diffrn    6.464
_cod_original_formula_sum        '(Sb.32 Bi1.68) S3'
_cod_database_code               9003471
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #1
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003472
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample #1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.316
_cell_length_b                   3.9709
_cell_length_c                   11.178
_cell_formula_units_Z            4
_cell_volume                     502.280
_database_code_amcsd             0003562
_exptl_crystal_density_diffrn    6.799
_cod_database_code               9003472
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #2
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003473
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample #2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.345
_cell_length_b                   3.994
_cell_length_c                   11.193
_cell_formula_units_Z            4
_cell_volume                     507.176
_database_code_amcsd             0003563
_exptl_crystal_density_diffrn    6.734
_cod_database_code               9003473
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003474
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample #3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.3540
_cell_length_b                   3.9911
_cell_length_c                   11.188
_cell_formula_units_Z            4
_cell_volume                     506.984
_database_code_amcsd             0003564
_exptl_crystal_density_diffrn    6.736
_cod_database_code               9003474
Neutron and synchrotron X-ray diffraction study of the structures and dehydration behaviors of ramsdellite and "groutellite"
Post, J. E.; Heaney, P. J.; American Mineralogist 89 (2004) 969–975; doi:

data_9003475
_publ_section_title
;
 Neutron and synchrotron X-ray diffraction study of the structures
 and dehydration behaviors of ramsdellite and "groutellite"
;
_journal_name_full               'American Mineralogist'
_journal_page_first              969
_journal_page_last               975
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Ramsdellite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2734
_cell_length_b                   2.8638
_cell_length_c                   4.5219
_cell_formula_units_Z            4
_cell_volume                     120.089
_database_code_amcsd             0003565
_exptl_crystal_density_diffrn    4.809
_cod_database_code               9003475
Neutron and synchrotron X-ray diffraction study of the structures and dehydration behaviors of ramsdellite and "groutellite"
Post, J. E.; Heaney, P. J.; American Mineralogist 89 (2004) 969–975; doi:

data_9003476
_publ_section_title
;
 Neutron and synchrotron X-ray diffraction study of the structures
 and dehydration behaviors of ramsdellite and "groutellite"
;
_journal_name_full               'American Mineralogist'
_journal_page_first              969
_journal_page_last               975
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Groutellite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.5155
_cell_length_b                   2.8644
_cell_length_c                   4.7061
_cell_formula_units_Z            4
_cell_volume                     128.270
_database_code_amcsd             0003566
_exptl_crystal_density_diffrn    4.502
_cod_database_code               9003476
Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O
Almond, P. M.; Albrecht-Schmitt T E; American Mineralogist 89 (2004) 976–980; doi:

data_9003477
_publ_section_title
;Hydrothermal synthesis and crystal chemistry of the new strontium uranyl
 selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              976
_journal_page_last               980
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     Sr[(UO2)3(SeO3)2O2].4H2O
_chemical_formula_sum            'H6.8 O18 Se2 Sr U3'
_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                 100.544
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.014
_cell_length_b                   7.0637
_cell_length_c                   7.1084
_cell_volume                     839.875
_database_code_amcsd             0003567
_exptl_crystal_density_diffrn    4.960
_cod_original_formula_sum        'U3 Sr Se2 O18 H6.8'
_cod_database_code               9003477
_amcsd_formula_title             Sr[(UO2)3(SeO3)2O2].4H2O
Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O
Almond, P. M.; Albrecht-Schmitt T E; American Mineralogist 89 (2004) 976–980; doi:

data_9003478
_publ_section_title
;Hydrothermal synthesis and crystal chemistry of the new strontium uranyl
 selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              976
_journal_page_last               980
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     Sr[(UO2)(SeO3)2].2H2O
_chemical_formula_sum            'O8 Se2 Sr U'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.698
_cell_angle_beta                 93.708
_cell_angle_gamma                109.489
_cell_length_a                   5.6722
_cell_length_b                   6.7627
_cell_length_c                   11.2622
_cell_formula_units_Z            2
_cell_volume                     388.615
_database_code_amcsd             0003568
_exptl_crystal_density_diffrn    5.226
_cod_original_formula_sum        'U Sr Se2 O8'
_cod_database_code               9003478
_amcsd_formula_title             Sr[(UO2)(SeO3)2].2H2O
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 273 K and P = 0 GPa, inversion parameter x = .320
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003479
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 273 K and P = 0 GPa, inversion parameter x = .320
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_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_length_a                   8.0834
_cell_length_b                   8.0834
_cell_length_c                   8.0834
_cell_formula_units_Z            8
_cell_volume                     528.180
_database_code_amcsd             0003569
_diffrn_ambient_pressure         0
_diffrn_ambient_temperature      273
_exptl_crystal_density_diffrn    3.578
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003479
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 549 K and P = 0.4 GPa, inversion parameter x = .262
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003480
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 549 K and P = 0.4 GPa, inversion parameter x = .262
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_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_length_a                   8.0727
_cell_length_b                   8.0727
_cell_length_c                   8.0727
_cell_formula_units_Z            8
_cell_volume                     526.086
_database_code_amcsd             0003570
_diffrn_ambient_pressure         4e+05
_diffrn_ambient_temperature      549
_exptl_crystal_density_diffrn    3.592
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003480
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 757 K and P = 0.4 GPa, inversion parameter x = .292
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003481
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 757 K and P = 0.4 GPa, inversion parameter x = .292
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_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_length_a                   8.0874
_cell_length_b                   8.0874
_cell_length_c                   8.0874
_cell_formula_units_Z            8
_cell_volume                     528.965
_database_code_amcsd             0003571
_diffrn_ambient_pressure         4e+05
_diffrn_ambient_temperature      757
_exptl_crystal_density_diffrn    3.573
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003481
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1015 K and P = 1.5 GPa, inversion parameter x = .386
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003482
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 1015 K and P = 1.5 GPa, inversion parameter x = .386
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_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_length_a                   8.1104
_cell_length_b                   8.1104
_cell_length_c                   8.1104
_cell_formula_units_Z            8
_cell_volume                     533.491
_database_code_amcsd             0003572
_diffrn_ambient_pressure         1.5e+06
_diffrn_ambient_temperature      1015
_exptl_crystal_density_diffrn    3.543
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003482
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1202 K and P = 2.0 GPa, inversion parameter x = .453
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003483
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 1202 K and P = 2.0 GPa, inversion parameter x = .453
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_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_length_a                   8.1274
_cell_length_b                   8.1274
_cell_length_c                   8.1274
_cell_formula_units_Z            8
_cell_volume                     536.852
_database_code_amcsd             0003573
_diffrn_ambient_pressure         2e+06
_diffrn_ambient_temperature      1202
_exptl_crystal_density_diffrn    3.520
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003483