LMucko/crystallography-open-database huggingface dataset:
Linking structure and chemistry in the schorl-dravite series Sample #32008
Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V.; American Mineralogist 84 (1999) 922–928; doi:

data_9002178
_publ_section_title
;
 Linking structure and chemistry in the schorl-dravite series
 Sample #32008
;
_journal_name_full               'American Mineralogist'
_journal_page_first              922
_journal_page_last               928
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum
;Al5.439 B3 Ca0.368 F0.495 Fe1.158 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012
 Na0.471 O30.505 Si6 Ti0.033
;
_chemical_name_mineral           Dravite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.965
_cell_length_b                   15.965
_cell_length_c                   7.199
_cell_volume                     1589.061
_exptl_crystal_density_diffrn    3.128
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
;Ca.368 Na.471 K.029 Al5.439 Mg2.292 Fe1.158 Ti.033 Li.018 Mn.012 Si6 B3
 O30.505 F.495 H3.02
;
_cod_database_code               9002178
On the crystal structure of pseudowollastonite (CaSiO3)
Yang, H.; Prewitt, C. T.; American Mineralogist 84 (1999) 929–932; doi:

data_9002179
_publ_section_title
;
 On the crystal structure of pseudowollastonite (CaSiO3)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              929
_journal_page_last               932
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Pseudowollastonite
_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                 90.667
_cell_angle_gamma                90
_cell_length_a                   6.8394
_cell_length_b                   11.8704
_cell_length_c                   19.6313
_cell_formula_units_Z            24
_cell_volume                     1593.687
_database_code_amcsd             0002247
_exptl_crystal_density_diffrn    2.905
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9002179
Al-Fe disorder in synthetic epidotes: A single-crystal X-ray diffraction study Sample: CC11c
Giuli, G.; Bonazzi, P.; Menchetti, S.; American Mineralogist 84 (1999) 933–936; doi:

data_9002180
_publ_section_title
;Al-Fe disorder in synthetic epidotes: A single-crystal X-ray diffraction
 study Sample: CC11c
;
_journal_name_full               'American Mineralogist'
_journal_page_first              933
_journal_page_last               936
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2.32 Ca2 Fe0.68 O13 Si3'
_chemical_name_mineral           Epidote
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.44
_cell_angle_gamma                90
_cell_length_a                   8.891
_cell_length_b                   5.624
_cell_length_c                   10.164
_cell_formula_units_Z            2
_cell_volume                     458.950
_database_code_amcsd             0002248
_exptl_crystal_density_diffrn    3.423
_cod_original_formula_sum        'Ca2 Si3 Fe.68 Al2.32 O13'
_cod_database_code               9002180
Crystal chemistry of high-pressure BaSi4O9 in the trigonal (P3) barium tetragermanate structure
Hazen, R. M.; Yang, H.; Finger, L. W.; Fursenko, B. A.; American Mineralogist 84 (1999) 987–989; doi:

data_9002181
_publ_section_title
;
 Crystal chemistry of high-pressure BaSi4O9 in the trigonal (P3) barium
 tetragermanate structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              987
_journal_page_last               989
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ba O9 Si4'
_chemical_name_mineral           BaSi4O9
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.2469
_cell_length_b                   11.2469
_cell_length_c                   4.4851
_cell_formula_units_Z            3
_cell_volume                     491.325
_database_code_amcsd             0002249
_exptl_crystal_density_diffrn    3.991
_cod_original_cell_volume        491.324
_cod_original_formula_sum        'Ba Si4 O9'
_cod_database_code               9002181
_amcsd_formula_title             BaSi4O9
Incommensurate modulation and the crystal structure of ganophyllite
Noe, D. C.; Veblen, D. R.; American Mineralogist 84 (1999) 1088–1098; doi:

data_9002182
_publ_section_title
;
 Incommensurate modulation and the crystal structure of ganophyllite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1088
_journal_page_last               1098
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'K0.46 Mn1.988 O9.439 Si3.184'
_chemical_name_mineral           Ganophyllite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.928
_cell_angle_gamma                90
_cell_length_a                   5.550
_cell_length_b                   13.539
_cell_length_c                   25.134
_cell_formula_units_Z            8
_cell_volume                     1884.169
_database_code_amcsd             0002250
_exptl_crystal_density_diffrn    2.592
_cod_original_formula_sum        'K.46 Mn1.988 Si3.184 O9.439'
_cod_database_code               9002182
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical and single-crystal X-ray study Sample: REE293 Tetrahedral sites were refined as Si
Wust, T.; Stolz, J.; Armbruster, T.; American Mineralogist 84 (1999) 1126–1134; doi:

data_9002183
_publ_section_title
;Partially dealuminated heulandite produced by acidic REECl3 solution: A
 chemical and single-crystal X-ray study Sample: REE293 Tetrahedral sites were
 refined as Si
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1126
_journal_page_last               1134
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.33 H28.74 Na0.39 O25.14 Si9'
_chemical_name_mineral           Heulandite
_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                 116.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.649
_cell_length_b                   17.980
_cell_length_c                   7.412
_cell_volume                     2110.027
_database_code_amcsd             0002251
_exptl_crystal_density_diffrn    2.209
_cod_original_cell_volume        2110.028
_cod_original_formula_sum        'Si9 Al.33 Na.39 O25.14 H28.74'
_cod_database_code               9002183
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical and single-crystal X-ray study Sample: REE100 Tetrahedral sites were refined as Si
Wust, T.; Stolz, J.; Armbruster, T.; American Mineralogist 84 (1999) 1126–1134; doi:

data_9002184
_publ_section_title
;Partially dealuminated heulandite produced by acidic REECl3 solution: A
 chemical and single-crystal X-ray study Sample: REE100 Tetrahedral sites were
 refined as Si
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1126
_journal_page_last               1134
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.302 H28.74 Na0.38 O24.46 Si9'
_chemical_name_mineral           Heulandite
_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                 116.29
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.611
_cell_length_b                   17.933
_cell_length_c                   7.398
_cell_volume                     2094.751
_database_code_amcsd             0002252
_exptl_crystal_density_diffrn    2.188
_cod_original_formula_sum        'Si9 Al.302 Na.38 O24.46 H28.74'
_cod_database_code               9002184
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical and single-crystal X-ray study Sample: DEHY323 Tetrahedral sites were refined as Si
Wust, T.; Stolz, J.; Armbruster, T.; American Mineralogist 84 (1999) 1126–1134; doi:

data_9002185
_publ_section_title
;Partially dealuminated heulandite produced by acidic REECl3 solution: A
 chemical and single-crystal X-ray study Sample: DEHY323 Tetrahedral sites
 were refined as Si
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1126
_journal_page_last               1134
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.283 H12.9 Na0.19 O20.12 Si9'
_chemical_name_mineral           Heulandite
_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                 116.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.583
_cell_length_b                   17.695
_cell_length_c                   7.408
_cell_volume                     2062.339
_database_code_amcsd             0002253
_exptl_crystal_density_diffrn    1.931
_cod_original_formula_sum        'Si9 Al.283 Na.19 O20.12 H12.9'
_cod_database_code               9002185
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical and single-crystal X-ray study Sample: DEHY378
Wust, T.; Stolz, J.; Armbruster, T.; American Mineralogist 84 (1999) 1126–1134; doi:

data_9002186
_publ_section_title
;Partially dealuminated heulandite produced by acidic REECl3 solution: A
 chemical and single-crystal X-ray study Sample: DEHY378
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1126
_journal_page_last               1134
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.412 H25.12 Na0.26 O39.1 Si18'
_chemical_name_mineral           Heulandite
_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                 116.42
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.608
_cell_length_b                   17.656
_cell_length_c                   7.414
_cell_volume                     2064.182
_database_code_amcsd             0002254
_exptl_crystal_density_diffrn    1.888
_cod_original_formula_sum        'Si18 Al.412 Na.26 O39.1 H25.12'
_cod_database_code               9002186
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .05
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002187
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .05
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.9 Mg3.05 O12 Si3.05'
_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                   11.4666
_cell_length_b                   11.4666
_cell_length_c                   11.4666
_cell_formula_units_Z            8
_cell_volume                     1507.662
_database_code_amcsd             0002255
_exptl_crystal_density_diffrn    3.551
_cod_original_formula_sum        'Mg3.05 Al1.9 Si3.05 O12'
_cod_database_code               9002187
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .13
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002188
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .13
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.74 Mg3.13 O12 Si3.13'
_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                   11.4755
_cell_length_b                   11.4755
_cell_length_c                   11.4755
_cell_formula_units_Z            8
_cell_volume                     1511.175
_database_code_amcsd             0002256
_exptl_crystal_density_diffrn    3.542
_cod_original_formula_sum        'Mg3.13 Al1.74 Si3.13 O12'
_cod_database_code               9002188
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .24
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002189
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .24
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.524 Mg3.238 O12 Si3.238'
_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                   11.4915
_cell_length_b                   11.4915
_cell_length_c                   11.4915
_cell_formula_units_Z            8
_cell_volume                     1517.505
_database_code_amcsd             0002257
_exptl_crystal_density_diffrn    3.526
_cod_original_formula_sum        'Mg3.238 Al1.524 Si3.238 O12'
_cod_database_code               9002189
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .38
Nakatsuka A; Yoshiasa A; Yamanaka T; Ohtaka O; Katsura T; Ito E; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002190
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .38
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.252 Mg3.374 O12 Si3.374'
_chemical_name_mineral           Majorite
_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                   11.4833
_cell_length_b                   11.4833
_cell_length_c                   11.4833
_cell_formula_units_Z            8
_cell_volume                     1514.259
_database_code_amcsd             0002258
_exptl_crystal_density_diffrn    3.531
_cod_original_formula_sum        'Mg3.374 Al1.252 Si3.374 O12'
_cod_database_code               9002190
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .52
Nakatsuka A; Yoshiasa A; Yamanaka T; Ohtaka O; Katsura T; Ito E; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002191
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .52
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.96 Mg3.52 O12 Si3.52'
_chemical_name_mineral           Majorite
_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                   11.4876
_cell_length_b                   11.4876
_cell_length_c                   11.4876
_cell_formula_units_Z            8
_cell_volume                     1515.961
_database_code_amcsd             0002259
_exptl_crystal_density_diffrn    3.525
_cod_original_formula_sum        'Mg3.52 Al.96 Si3.52 O12'
_cod_database_code               9002191
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .64
Nakatsuka A; Yoshiasa A; Yamanaka T; Ohtaka O; Katsura T; Ito E; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002192
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .64
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.72 Mg3.64 O12 Si3.64'
_chemical_name_mineral           Majorite
_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                   11.4891
_cell_length_b                   11.4891
_cell_length_c                   11.4891
_cell_formula_units_Z            8
_cell_volume                     1516.555
_database_code_amcsd             0002260
_exptl_crystal_density_diffrn    3.522
_cod_original_formula_sum        'Mg3.64 Al.72 Si3.64 O12'
_cod_database_code               9002192
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .38
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002193
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .38
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.252 Mg3.374 O12 Si3.374'
_chemical_name_mineral           Majorite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.4833
_cell_length_b                   11.4833
_cell_length_c                   11.4833
_cell_formula_units_Z            8
_cell_volume                     1514.259
_database_code_amcsd             0002261
_exptl_crystal_density_diffrn    3.531
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mg3.374 Al1.252 Si3.374 O12'
_cod_database_code               9002193
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .52
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002194
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .52
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.96 Mg3.52 O12 Si3.52'
_chemical_name_mineral           Majorite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.4876
_cell_length_b                   11.4876
_cell_length_c                   11.4876
_cell_formula_units_Z            8
_cell_volume                     1515.961
_database_code_amcsd             0002262
_exptl_crystal_density_diffrn    3.525
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mg3.52 Al.96 Si3.52 O12'
_cod_database_code               9002194
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .64
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.; American Mineralogist 84 (1999) 1135–1143; doi:

data_9002195
_publ_section_title
;
 Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
 Sample: x = .64
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.72 Mg3.64 O12 Si3.64'
_chemical_name_mineral           Majorite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.4891
_cell_length_b                   11.4891
_cell_length_c                   11.4891
_cell_formula_units_Z            8
_cell_volume                     1516.555
_database_code_amcsd             0002263
_exptl_crystal_density_diffrn    3.522
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mg3.64 Al.72 Si3.64 O12'
_cod_database_code               9002195