LMucko/crystallography-open-database huggingface dataset:
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 120 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003388
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model with O3-O3-O3 angle = 120 and model oxygen radius = 1 Note:
 Atoms Mg, Si, and O are assigned to atomic positions for convenience
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Pyroxene-ideal
_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                 100.0
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.6332
_cell_length_b                   6
_cell_length_c                   3.464
_cell_volume                     135.770
_database_code_amcsd             0003477
_exptl_crystal_density_diffrn    9.822
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003388
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside after Cameron et al. (1973) with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.318
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003389
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model diopside after Cameron et al. (1973) with O3-O3-O3 angle =
 166.4 and model oxygen radius = 1.318
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 108.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.756
_cell_length_b                   9.067
_cell_length_c                   5.235
_cell_volume                     438.630
_database_code_amcsd             0003478
_exptl_crystal_density_diffrn    3.279
_cod_original_formula_sum        'Mg Ca Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003389
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside at 1000C after Cameron et al. (1973) with O3-O3-O3 angle = 168.5 and model oxygen radius = 1.330
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003390
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model diopside at 1000C after Cameron et al. (1973) with O3-O3-O3
 angle = 168.5 and model oxygen radius = 1.330
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 109.0
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.876
_cell_length_b                   9.170
_cell_length_c                   5.294
_cell_volume                     453.320
_database_code_amcsd             0003479
_exptl_crystal_density_diffrn    3.173
_cod_original_formula_sum        'Mg Ca Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003390
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside after Levien and Prewitt (1981) with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.319
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003391
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model diopside after Levien and Prewitt (1981) with O3-O3-O3 angle =
 166.4 and model oxygen radius = 1.319
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 108.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.760
_cell_length_b                   9.071
_cell_length_c                   5.237
_cell_volume                     439.171
_database_code_amcsd             0003480
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        'Mg Ca Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003391
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside at 5.3 GPa after Levien and Prewitt (1981) with O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003392
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model diopside at 5.3 GPa after Levien and Prewitt (1981) with
 O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 108.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.607
_cell_length_b                   8.939
_cell_length_c                   5.161
_cell_volume                     420.796
_database_code_amcsd             0003481
_exptl_crystal_density_diffrn    3.418
_cod_original_formula_sum        'Mg Ca Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003392
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995) with O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003393
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995) with
 O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Fe O3 Si'
_chemical_name_mineral           Pyroxene-ideal
_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                 103.8
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.552
_cell_length_b                   8.844
_cell_length_c                   5.106
_cell_volume                     418.893
_database_code_amcsd             0003482
_exptl_crystal_density_diffrn    4.184
_cod_original_formula_sum        'Fe Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003393
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor after Cameron et al. (1973) with O3-O3-O3 angle = 172.0 and model oxygen radius = 1.294
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003394
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model kosmochlor after Cameron et al. (1973) with O3-O3-O3 angle =
 172.0 and model oxygen radius = 1.294
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 109.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.653
_cell_length_b                   8.944
_cell_length_c                   5.164
_cell_volume                     420.008
_database_code_amcsd             0003483
_exptl_crystal_density_diffrn    3.592
_cod_original_formula_sum        'Cr Na Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003394
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor at 600C after Cameron et al. (1973) with O3-O3-O3 angle = 172.9 and model oxygen radius = 1.299
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003395
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model kosmochlor at 600C after Cameron et al. (1973) with O3-O3-O3
 angle = 172.9 and model oxygen radius = 1.299
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 109.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.697
_cell_length_b                   8.980
_cell_length_c                   5.184
_cell_volume                     424.997
_database_code_amcsd             0003484
_exptl_crystal_density_diffrn    3.550
_cod_original_formula_sum        'Cr Na Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003395
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor after Origlieri et al. (2003) with O3-O3-O3 angle = 172.8 and model oxygen radius = 1.292
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003396
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model kosmochlor after Origlieri et al. (2003) with O3-O3-O3 angle =
 172.8 and model oxygen radius = 1.292
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 109.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.650
_cell_length_b                   8.937
_cell_length_c                   5.160
_cell_volume                     418.963
_database_code_amcsd             0003485
_exptl_crystal_density_diffrn    3.601
_cod_original_formula_sum        'Cr Na Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003396
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor at 9.28 GPa after Origlieri et al. (2003) with O3-O3-O3 angle = 166.1 and model oxygen radius = 1.271
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003397
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model kosmochlor at 9.28 GPa after Origlieri et al. (2003) with
 O3-O3-O3 angle = 166.1 and model oxygen radius = 1.271
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 108.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.401
_cell_length_b                   8.738
_cell_length_c                   5.045
_cell_volume                     392.549
_database_code_amcsd             0003486
_exptl_crystal_density_diffrn    3.844
_cod_original_formula_sum        'Cr Na Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003397
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene after Cameron et al. (1973) with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.263
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003398
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model spodumene after Cameron et al. (1973) with O3-O3-O3 angle =
 189.5 and model oxygen radius = 1.263
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 112.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.570
_cell_length_b                   8.717
_cell_length_c                   5.033
_cell_volume                     389.014
_database_code_amcsd             0003487
_exptl_crystal_density_diffrn    3.177
_cod_original_formula_sum        'Al Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003398
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene at 760C after Cameron et al. (1973) with O3-O3-O3 angle = 186.6 and model oxygen radius = 1.267
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003399
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model spodumene at 760C after Cameron et al. (1973) with O3-O3-O3
 angle = 186.6 and model oxygen radius = 1.267
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 111.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.589
_cell_length_b                   8.766
_cell_length_c                   5.061
_cell_volume                     395.265
_database_code_amcsd             0003488
_exptl_crystal_density_diffrn    3.127
_cod_original_formula_sum        'Al Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003399
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene after Arlt and Angel (2003) with O3-O3-O3 angle = 189.9 and model oxygen radius = 1.263
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003400
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model spodumene after Arlt and Angel (2003) with O3-O3-O3 angle =
 189.9 and model oxygen radius = 1.263
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 112.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.572
_cell_length_b                   8.715
_cell_length_c                   5.032
_cell_volume                     388.928
_database_code_amcsd             0003489
_exptl_crystal_density_diffrn    3.178
_cod_original_formula_sum        'Al Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003400
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene at 3.164 GPa after Arlt and Angel (2003) with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.254
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003401
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model spodumene at 3.164 GPa after Arlt and Angel (2003) with
 O3-O3-O3 angle = 189.5 and model oxygen radius = 1.254
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 112.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.503
_cell_length_b                   8.655
_cell_length_c                   4.997
_cell_volume                     380.799
_database_code_amcsd             0003490
_exptl_crystal_density_diffrn    3.246
_cod_original_formula_sum        'Al Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003401
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model lithium iron px after Redhammer et al. (2001) with O3-O3-O3 angle = 180.8 and model oxygen radius = 1.287
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003402
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model lithium iron px after Redhammer et al. (2001) with O3-O3-O3
 angle = 180.8 and model oxygen radius = 1.287
;
_journal_issue                   4
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               628
_journal_paper_doi               10.2138/am-2004-0416
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Fe Li O6 Si2'
_chemical_name_mineral           Pyroxene-ideal
_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                 110.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.695
_cell_length_b                   8.919
_cell_length_c                   5.149
_cell_volume                     415.938
_database_code_amcsd             0003491
_exptl_crystal_density_diffrn    3.433
_cod_original_formula_sum        'Fe Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003402