LMucko/crystallography-open-database huggingface dataset:
Structural reinvestigation of getchellite As0.98Sb1.02S3.00
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 696–700; doi:

data_9003449
_publ_section_title
;
 Structural reinvestigation of getchellite As0.98Sb1.02S3.00
;
_journal_name_full               'American Mineralogist'
_journal_page_first              696
_journal_page_last               700
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'As0.975 S3 Sb1.025'
_chemical_name_mineral           Getchellite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.15
_cell_angle_gamma                90
_cell_length_a                   11.949
_cell_length_b                   9.028
_cell_length_c                   10.130
_cell_formula_units_Z            8
_cell_volume                     980.926
_database_code_amcsd             0003539
_exptl_crystal_density_diffrn    3.982
_cod_original_formula_sum        '(As.975 Sb1.025) S3'
_cod_database_code               9003449
The atomic structure of bakerite and its relationship to datolite Sample: #45837, single crystal data
Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.; American Mineralogist 89 (2004) 767–776; doi:

data_9003450
_publ_section_title
;
 The atomic structure of bakerite and its relationship to datolite
 Sample: #45837, single crystal data
;
_journal_name_full               'American Mineralogist'
_journal_page_first              767
_journal_page_last               776
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'B Ca H O5 Si'
_chemical_name_mineral           Datolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.255
_cell_angle_gamma                90
_cell_length_a                   4.850
_cell_length_b                   7.627
_cell_length_c                   9.659
_cell_formula_units_Z            4
_cell_volume                     357.292
_database_code_amcsd             0003540
_exptl_crystal_density_diffrn    2.974
_cod_original_formula_sum        'Ca Si B O5 H'
_cod_database_code               9003450
The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the conventional X-ray data for sample #92735
Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.; American Mineralogist 89 (2004) 767–776; doi:

data_9003451
_publ_section_title
;
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the conventional X-ray data for sample #92735
;
_journal_name_full               'American Mineralogist'
_journal_page_first              767
_journal_page_last               776
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'B1.25 Ca H1.25 O5 Si0.75'
_chemical_name_mineral           Bakerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.434
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8014
_cell_length_b                   7.5780
_cell_length_c                   9.5419
_cell_volume                     347.172
_database_code_amcsd             0003541
_exptl_crystal_density_diffrn    2.983
_cod_original_formula_sum        'Ca Si.75 B1.25 O5 H1.25'
_cod_database_code               9003451
The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the synchrotron data for sample #92735
Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.; American Mineralogist 89 (2004) 767–776; doi:

data_9003452
_publ_section_title
;
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the synchrotron data for sample #92735
;
_journal_name_full               'American Mineralogist'
_journal_page_first              767
_journal_page_last               776
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'B1.25 Ca H1.25 O5 Si0.75'
_chemical_name_mineral           Bakerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.437
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8005
_cell_length_b                   7.5788
_cell_length_c                   9.5432
_cell_volume                     347.191
_database_code_amcsd             0003542
_exptl_crystal_density_diffrn    2.983
_cod_original_formula_sum        'Ca Si.75 B1.25 O5 H1.25'
_cod_database_code               9003452
The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the neutron data (RT) for sample #92735
Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.; American Mineralogist 89 (2004) 767–776; doi:

data_9003453
_publ_section_title
;
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the neutron data (RT) for sample #92735
;
_journal_name_full               'American Mineralogist'
_journal_page_first              767
_journal_page_last               776
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'B1.25 Ca H1.25 O5 Si0.75'
_chemical_name_mineral           Bakerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.427
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7967
_cell_length_b                   7.5711
_cell_length_c                   9.5321
_cell_volume                     346.161
_database_code_amcsd             0003543
_exptl_crystal_density_diffrn    2.992
_cod_original_formula_sum        'Ca Si.75 B1.25 O5 H1.25'
_cod_database_code               9003453
The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the neutron data (LT) for sample #92735
Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.; American Mineralogist 89 (2004) 767–776; doi:

data_9003454
_publ_section_title
;
 The atomic structure of bakerite and its relationship to datolite
 Sample: Refinement of the neutron data (LT) for sample #92735
;
_journal_name_full               'American Mineralogist'
_journal_page_first              767
_journal_page_last               776
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'B1.25 Ca H1.25 O5 Si0.75'
_chemical_name_mineral           Bakerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.476
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7892
_cell_length_b                   7.5644
_cell_length_c                   9.5362
_cell_volume                     345.460
_database_code_amcsd             0003544
_exptl_crystal_density_diffrn    2.998
_cod_original_formula_sum        'Ca Si.75 B1.25 O5 H1.25'
_cod_database_code               9003454
The atomic structure of bakerite and its relationship to datolite Sample: Combined refinement
Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.; American Mineralogist 89 (2004) 767–776; doi:

data_9003455
_publ_section_title
;
 The atomic structure of bakerite and its relationship to datolite
 Sample: Combined refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              767
_journal_page_last               776
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'B1.25 Ca H1.25 O5 Si0.75'
_chemical_name_mineral           Bakerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.435
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.80042
_cell_length_b                   7.57864
_cell_length_c                   9.5426
_cell_volume                     347.156
_database_code_amcsd             0003545
_exptl_crystal_density_diffrn    2.983
_cod_original_formula_sum        'Ca Si.75 B1.25 O5 H1.25'
_cod_database_code               9003455
The flux growth of magnesium silicate perovskite single crystals
Dobson, D. P.; Jacobsen, S. D.; American Mineralogist 89 (2004) 807–811; doi:

data_9003456
_publ_section_title
;
 The flux growth of magnesium silicate perovskite single crystals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              807
_journal_page_last               811
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Bridgmanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7780
_cell_length_b                   4.9298
_cell_length_c                   6.8990
_cell_formula_units_Z            4
_cell_volume                     162.503
_database_code_amcsd             0003546
_exptl_crystal_density_diffrn    4.103
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9003456
Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new Group 5 for monoclinic amphiboles
Oberti, R.; Camara, F.; Caballero, J. M.; American Mineralogist 89 (2004) 888–893; doi:

data_9003457
_publ_section_title
;
 Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
 Group 5 for monoclinic amphiboles
;
_journal_name_full               'American Mineralogist'
_journal_page_first              888
_journal_page_last               893
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
;Al0.1 Ca0.06 F0.47 Fe2.63 H1.51 K0.125 Li1.66 Mg1.35 Mn0.13 Na1.376 O23.51
 Si8 Ti0.06 Zn0.31
;
_chemical_compound_source        'Pedriza massif, Sierra de Guadarrama, Spain'
_chemical_name_mineral           Clino-ferri-holmquistite
_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                 102.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.535
_cell_length_b                   17.876
_cell_length_c                   5.294
_cell_volume                     880.824
_exptl_crystal_density_diffrn    3.297
_cod_original_formula_sum
;Na1.376 K.125 Mg1.35 Fe2.63 Zn.31 Al.1 Ti.06 Li1.66 Mn.13 Ca.06 Si8 H1.51
 O23.51 F.47
;
_cod_database_code               9003457
_database_code_amcsd 0003547
Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new Group 5 for monoclinic amphiboles
Oberti, R.; Camara, F.; Caballero, J. M.; American Mineralogist 89 (2004) 888–893; doi:

data_9003458
_publ_section_title
;
 Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new
 Group 5 for monoclinic amphiboles
;
_journal_name_full               'American Mineralogist'
_journal_page_first              888
_journal_page_last               893
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        'Pedriza massif, Sierra de Guadarrama, Spain'
_chemical_formula_sum
;Al0.1 Ca0.11 F0.7 Fe2.06 H1.3 K0.232 Li1.35 Mg1.47 Mn0.12 Na2.411 O23.3 Si8
 Ti0.12 Zn0.4
;
_chemical_name_mineral           Ferri-leakeite
_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                 103.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.712
_cell_length_b                   17.851
_cell_length_c                   5.297
_cell_volume                     892.473
_exptl_crystal_density_diffrn    3.283
_cod_original_formula_sum
;Na2.411 K.232 Mg1.47 Fe2.06 Zn.4 Al.1 Ti.12 Li1.35 Mn.12 Ca.11 H1.3 Si8 O23.3
 F.7
;
_cod_database_code               9003458
_database_code_amcsd 0003548
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_9003459
_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            'S3 Sb2'
_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                   11.282
_cell_length_b                   3.8296
_cell_length_c                   11.225
_cell_formula_units_Z            4
_cell_volume                     484.982
_database_code_amcsd             0003549
_exptl_crystal_density_diffrn    4.652
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9003459
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_9003460
_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            'S3 Sb2'
_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                   11.311
_cell_length_b                   3.8389
_cell_length_c                   11.223
_cell_formula_units_Z            4
_cell_volume                     487.323
_database_code_amcsd             0003550
_exptl_crystal_density_diffrn    4.630
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9003460
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_9003461
_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            'S3 Sb2'
_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                   11.2845
_cell_length_b                   3.8220
_cell_length_c                   11.203
_cell_formula_units_Z            4
_cell_volume                     483.178
_database_code_amcsd             0003551
_exptl_crystal_density_diffrn    4.670
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9003461
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #4
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003462
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample #4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'S3 Sb2'
_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                   11.3197
_cell_length_b                   3.8332
_cell_length_c                   11.2330
_cell_formula_units_Z            4
_cell_volume                     487.407
_database_code_amcsd             0003552
_exptl_crystal_density_diffrn    4.629
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9003462
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.935Bi.065S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003463
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.935Bi.065S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi0.064 S3 Sb1.936'
_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                   11.3122
_cell_length_b                   3.8428
_cell_length_c                   11.221
_cell_formula_units_Z            4
_cell_volume                     487.783
_database_code_amcsd             0003553
_exptl_crystal_density_diffrn    4.702
_cod_original_formula_sum        '(Sb1.936 Bi.064) S3'
_cod_database_code               9003463
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.637Bi.363S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003464
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.637Bi.363S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi0.364 S3 Sb1.636'
_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                   11.274
_cell_length_b                   3.8739
_cell_length_c                   11.160
_cell_formula_units_Z            4
_cell_volume                     487.406
_database_code_amcsd             0003554
_exptl_crystal_density_diffrn    5.062
_cod_original_formula_sum        '(Sb1.636 Bi.364) S3'
_cod_database_code               9003464
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.483Bi.517S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003465
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.483Bi.517S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi0.516 S3 Sb1.484'
_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                   3.883
_cell_length_c                   11.226
_cell_formula_units_Z            4
_cell_volume                     493.358
_database_code_amcsd             0003555
_exptl_crystal_density_diffrn    5.179
_cod_original_formula_sum        '(Sb1.484 Bi.516) S3'
_cod_database_code               9003465
Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.463Bi.537S3
Kyono, A.; Kimata, M.; American Mineralogist 89 (2004) 932–940; doi:

data_9003466
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample: Sb1.463Bi.537S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               940
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Bi0.536 S3 Sb1.464'
_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                   11.309
_cell_length_b                   3.871
_cell_length_c                   11.1876
_cell_formula_units_Z            4
_cell_volume                     489.761
_database_code_amcsd             0003556
_exptl_crystal_density_diffrn    5.241
_cod_original_formula_sum        '(Sb1.464 Bi.536) S3'
_cod_database_code               9003466