LMucko/crystallography-open-database huggingface dataset:
Crystal-structure refinement of hydrogen-rich staurolite Sample: S(43)
Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Caucia, F.; Callegari, A.; The Canadian Mineralogist 32 (1994) 491–495; doi:

data_9004306
_publ_section_title
;
 Crystal-structure refinement of hydrogen-rich staurolite
 Sample: S(43)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              491
_journal_page_last               495
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al4.51 Fe0.77 H Li0.13 Mg0.01 O12 Si1.92'
_chemical_name_mineral           Staurolite
_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                 90.04
_cell_angle_gamma                90
_cell_length_a                   7.863
_cell_length_b                   16.596
_cell_formula_units_Z            4
_cell_length_c                   5.650
_cell_volume                     737.293
_database_code_amcsd             0005379
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'Si1.92 Al4.51 Fe.77 Mg.01 Li.13 O12 H'
_cod_database_code               9004306
Crystal-structure refinement of hydrogen-rich staurolite Sample: S(44)
Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Caucia, F.; Callegari, A.; The Canadian Mineralogist 32 (1994) 491–495; doi:

data_9004307
_publ_section_title
;
 Crystal-structure refinement of hydrogen-rich staurolite
 Sample: S(44)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              491
_journal_page_last               495
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al4.48 Fe0.77 H Li0.07 Mg0.1 O12 Si1.92'
_chemical_name_mineral           Staurolite
_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                 90.18
_cell_angle_gamma                90
_cell_length_a                   7.861
_cell_length_b                   16.610
_cell_formula_units_Z            4
_cell_length_c                   5.649
_cell_volume                     737.593
_database_code_amcsd             0005380
_exptl_crystal_density_diffrn    3.726
_cod_original_formula_sum        'Si1.92 Al4.48 Fe.77 Mg.1 Li.07 O12 H'
_cod_database_code               9004307
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement
Lam, A. E.; Groat, L. A.; The Canadian Mineralogist 32 (1994) 525–532; doi:

data_9004308
_publ_section_title
;
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
 structure
 Sample: UBC refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al1.97 Ca Fe0.03 H3 O27 Pb3 Si10'
_chemical_name_mineral           Wickenburgite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.560
_cell_length_b                   8.560
_cell_length_c                   20.190
_cell_volume                     1281.193
_exptl_crystal_density_diffrn    3.713
_cell_formula_units_Z            2
_cod_original_formula_sum        'Pb3 Ca Al1.97 Fe.03 Si10 O27 H3'
_cod_database_code               9004308
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement
Lam, A. E.; Groat, L. A.; The Canadian Mineralogist 32 (1994) 525–532; doi:

data_9004309
_publ_section_title
;
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
 structure
 Sample: UMAN refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al1.81 Ca Fe0.19 H3 O27 Pb3 Si10'
_chemical_name_mineral           Wickenburgite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.546
_cell_length_b                   8.546
_cell_length_c                   20.168
_cell_formula_units_Z            2
_cell_volume                     1275.614
_exptl_crystal_density_diffrn    3.741
_cod_original_formula_sum        'Pb3 Ca Al1.81 Fe.19 Si10 O27 H3'
_cod_database_code               9004309
Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet structure
Burns, P. C.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 533–539; doi:

data_9004310
_publ_section_title
;
 Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet
 structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              533
_journal_page_last               539
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'B6 Ca H22 Mg O22'
_chemical_name_mineral           Inderborite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.29
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.137
_cell_length_b                   7.433
_cell_length_c                   19.234
_cell_volume                     1735.160
_database_code_amcsd             0005383
_exptl_crystal_density_diffrn    1.927
_cod_original_formula_sum        'Mg Ca B6 O22 H22'
_cod_database_code               9004310
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004311
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.068 Ca Fe0.008 Mg0.992 O6 Si1.932'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.880
_cell_angle_gamma                90
_cell_length_a                   9.7429
_cell_length_b                   8.9161
_cell_length_c                   5.2557
_cell_formula_units_Z            4
_cell_volume                     439.132
_database_code_amcsd             0005384
_exptl_crystal_density_diffrn    3.278
_cod_original_formula_sum        '(Mg.992 Fe.008) Ca (Si1.932 Al.068) O6'
_cod_database_code               9004311
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: SPh single phase Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004312
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: SPh single phase
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.008 Mg0.992 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.900
_cell_angle_gamma                90
_cell_length_a                   9.7476
_cell_length_b                   8.9174
_cell_formula_units_Z            4
_cell_length_c                   5.2573
_cell_volume                     439.498
_database_code_amcsd             0005385
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        '(Mg.992 Fe.008) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004312
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P1 - 9.9% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004313
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P1 - 9.9% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.016 Mg0.984 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.897
_cell_angle_gamma                90
_cell_length_a                   9.7501
_cell_length_b                   8.9207
_cell_formula_units_Z            4
_cell_length_c                   5.2593
_cell_volume                     439.947
_database_code_amcsd             0005386
_exptl_crystal_density_diffrn    3.276
_cod_original_formula_sum        '(Mg.984 Fe.016) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004313
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P2 - 19.9% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004314
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P2 - 19.9% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.03 Mg0.97 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.903
_cell_angle_gamma                90
_cell_length_a                   9.7497
_cell_length_b                   8.9189
_cell_formula_units_Z            4
_cell_length_c                   5.2576
_cell_volume                     439.685
_database_code_amcsd             0005387
_exptl_crystal_density_diffrn    3.284
_cod_original_formula_sum        '(Mg.97 Fe.03) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004314
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P3 - 30.6% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004315
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P3 - 30.6% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.018 Mg0.982 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.888
_cell_angle_gamma                90
_cell_length_a                   9.7489
_cell_length_b                   8.9181
_cell_formula_units_Z            4
_cell_length_c                   5.2574
_cell_volume                     439.626
_database_code_amcsd             0005388
_exptl_crystal_density_diffrn    3.279
_cod_original_formula_sum        '(Mg.982 Fe.018) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004315
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P4 - 39.7% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004316
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P4 - 39.7% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.052 Mg0.948 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.896
_cell_angle_gamma                90
_cell_length_a                   9.7489
_cell_length_b                   8.9184
_cell_formula_units_Z            4
_cell_length_c                   5.2577
_cell_volume                     439.648
_database_code_amcsd             0005389
_exptl_crystal_density_diffrn    3.295
_cod_original_formula_sum        '(Mg.948 Fe.052) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004316
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P5 - 49.9% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004317
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P5 - 49.9% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.024 Mg0.976 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.894
_cell_angle_gamma                90
_cell_length_a                   9.7485
_cell_length_b                   8.9179
_cell_formula_units_Z            4
_cell_length_c                   5.2566
_cell_volume                     439.518
_database_code_amcsd             0005390
_exptl_crystal_density_diffrn    3.283
_cod_original_formula_sum        '(Mg.976 Fe.024) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004317
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P6 - 59.9% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004318
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P6 - 59.9% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.01 Mg0.99 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.897
_cell_angle_gamma                90
_cell_length_a                   9.7464
_cell_length_b                   8.9163
_cell_formula_units_Z            4
_cell_length_c                   5.2562
_cell_volume                     439.304
_database_code_amcsd             0005391
_exptl_crystal_density_diffrn    3.278
_cod_original_formula_sum        '(Mg.99 Fe.01) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004318
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P7 - 70.0% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004319
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P7 - 70.0% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.008 Mg0.992 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.893
_cell_angle_gamma                90
_cell_length_a                   9.7493
_cell_length_b                   8.9142
_cell_formula_units_Z            4
_cell_length_c                   5.2564
_cell_volume                     439.357
_database_code_amcsd             0005392
_exptl_crystal_density_diffrn    3.276
_cod_original_formula_sum        '(Mg.992 Fe.008) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004319
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P8 - 79.9% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004320
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P8 - 79.9% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.002 Mg0.998 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.872
_cell_angle_gamma                90
_cell_length_a                   9.7498
_cell_length_b                   8.9160
_cell_formula_units_Z            4
_cell_length_c                   5.2586
_cell_volume                     439.698
_database_code_amcsd             0005393
_exptl_crystal_density_diffrn    3.271
_cod_original_formula_sum        '(Mg.998 Fe.002) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004320
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P9 - 89.6% olivine Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004321
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P9 - 89.6% olivine
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.078 Ca Fe0.038 Mg0.962 O6 Si1.922'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.90
_cell_angle_gamma                90
_cell_length_a                   9.747
_cell_length_b                   8.914
_cell_formula_units_Z            4
_cell_length_c                   5.2590
_cell_volume                     439.446
_database_code_amcsd             0005394
_exptl_crystal_density_diffrn    3.290
_cod_original_cell_volume        439.445
_cod_original_formula_sum        '(Mg.962 Fe.038) Ca (Si1.922 Al.078) O6'
_cod_database_code               9004321
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004322
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.184 Mg1.816 O4 Si'
_chemical_name_mineral           Forsterite
_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_formula_units_Z            4
_cell_length_a                   4.7642
_cell_length_b                   10.2258
_cell_length_c                   6.0045
_cell_volume                     292.526
_database_code_amcsd             0005395
_exptl_crystal_density_diffrn    3.326
_cod_original_formula_sum        'Si (Mg1.816 Fe.184) O4'
_cod_database_code               9004322
Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: SPh single phase Rietveld
Liang, J.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 541–552; doi:

data_9004323
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: SPh single phase
 Rietveld
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.178 Mg1.822 O4 Si'
_chemical_name_mineral           Forsterite
_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                   4.7649
_cell_length_b                   10.2376
_cell_formula_units_Z            4
_cell_length_c                   5.9986
_cell_volume                     292.619
_database_code_amcsd             0005396
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum        'Si (Mg1.822 Fe.178) O4'
_cod_database_code               9004323