LMucko/crystallography-open-database huggingface dataset:
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model zinc px after Morimoto et al. (1975) with O3-O3-O3 angle = 161.3 and model oxygen radius = 1.329
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003418
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model zinc px after Morimoto et al. (1975) with O3-O3-O3 angle =
 161.3 and model oxygen radius = 1.329
;
_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            'O3 Si Zn'
_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                 107.9
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.755
_cell_length_b                   9.083
_cell_length_c                   5.244
_cell_volume                     442.152
_database_code_amcsd             0003507
_exptl_crystal_density_diffrn    4.251
_cod_original_formula_sum        'Zn Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003418
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinopx, closest-packed, ABABCACABCBC, with O3A-O3A-O3A angle = 240, O3B-O3B-O3B angle = 120, and model oxygen radius = 1
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003419
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model low clinopx, closest-packed, ABABCACABCBC, with O3A-O3A-O3A
 angle = 240, O3B-O3B-O3B angle = 120, and model oxygen radius = 1
;
_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           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                 109.47
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.928
_cell_length_b                   6
_cell_length_c                   3.464
_cell_volume                     135.758
_database_code_amcsd             0003508
_exptl_crystal_density_diffrn    9.823
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003419
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003420
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model low clinopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle =
 120, and model oxygen radius = 1
;
_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           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                 105.3
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.559
_cell_length_b                   6.928
_cell_length_c                   4
_cell_volume                     202.051
_database_code_amcsd             0003509
_exptl_crystal_density_diffrn    6.600
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003420
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinoenstatite after Pannhorst (1984) with O3A-O3A-O3A angle = 202.8, O3B-O3B-O3B angle = 138.1, and model oxygen radius = 1.306
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003421
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model low clinoenstatite after Pannhorst (1984) with O3A-O3A-O3A
 angle = 202.8, O3B-O3B-O3B angle = 138.1, and model oxygen radius = 1.306
;
_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           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                 108.9
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.725
_cell_length_b                   8.872
_cell_length_c                   5.122
_cell_volume                     418.101
_database_code_amcsd             0003510
_exptl_crystal_density_diffrn    3.190
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003421
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinoenstatite at 700C after Pannhorst (1984) with O3A-O3A-O3A angle = 197.1, O3B-O3B-O3B angle = 141.6, and model oxygen radius = 1.307
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003422
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model low clinoenstatite at 700C after Pannhorst (1984) with
 O3A-O3A-O3A angle = 197.1, O3B-O3B-O3B angle = 141.6, and model oxygen radius
 = 1.307
;
_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           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                 108.8
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.764
_cell_length_b                   8.953
_cell_length_c                   5.169
_cell_volume                     427.752
_database_code_amcsd             0003511
_exptl_crystal_density_diffrn    3.118
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003422
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinospodumene at P = 3.342 GPa after Arlt and Angel (2000) with O3A-O3A-O3A angle = 203.2, O3B-O3B-O3B angle = 152.5, and model oxygen radius = 1.265
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003423
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model low clinospodumene at P = 3.342 GPa after Arlt and Angel
 (2000) with O3A-O3A-O3A angle = 203.2, O3B-O3B-O3B angle = 152.5, and model
 oxygen radius = 1.265
;
_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           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                 110.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.402
_cell_length_b                   8.587
_cell_length_c                   4.958
_cell_volume                     375.664
_database_code_amcsd             0003512
_diffrn_ambient_pressure         3.342e+06
_exptl_crystal_density_diffrn    3.290
_cod_original_formula_sum        'Al Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003423
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinospodumene at P = 8.835 GPa after Arlt and Angel (2000) with O3A-O3A-O3A angle = 206.4, O3B-O3B-O3B angle = 143.5, 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_9003424
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model low clinospodumene at P = 8.835 GPa after Arlt and Angel
 (2000) with O3A-O3A-O3A angle = 206.4, O3B-O3B-O3B angle = 143.5, 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           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                 109.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.292
_cell_length_b                   8.459
_cell_length_c                   4.884
_cell_volume                     361.644
_database_code_amcsd             0003513
_diffrn_ambient_pressure         8.835e+06
_exptl_crystal_density_diffrn    3.418
_cod_original_formula_sum        'Al Li Si2 O6'
_cod_structure_determination_method theoretical
_cod_database_code               9003424
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B 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_9003425
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B 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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.580
_cell_length_b                   6.928
_cell_length_c                   4
_cell_volume                     404.041
_database_code_amcsd             0003514
_exptl_crystal_density_diffrn    6.601
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003425
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180, 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_9003426
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180,
 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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.074
_cell_length_b                   6.928
_cell_length_c                   4
_cell_volume                     390.019
_database_code_amcsd             0003515
_exptl_crystal_density_diffrn    6.839
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003426
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Yang and Ghose (1995) with O3A-O3A-O3A angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003427
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model orthoenstatite after Yang and Ghose (1995) with O3A-O3A-O3A
 angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302
;
_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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.363
_cell_length_b                   8.867
_cell_length_c                   5.119
_cell_volume                     833.500
_database_code_amcsd             0003516
_exptl_crystal_density_diffrn    3.200
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003427
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 1360 K after Yang and Ghose (1995) with O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius = 1.317
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003428
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model orthoenstatite at 1360 K after Yang and Ghose (1995) with
 O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius
 = 1.317
;
_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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.535
_cell_length_b                   9.024
_cell_length_c                   5.210
_cell_volume                     871.424
_database_code_amcsd             0003517
_exptl_crystal_density_diffrn    3.061
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003428
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius = 1.302
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003429
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model orthoenstatite after Hugh-Jones and Angel (1994) with
 O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius
 = 1.302
;
_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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.363
_cell_length_b                   8.864
_cell_length_c                   5.118
_cell_volume                     833.055
_database_code_amcsd             0003518
_exptl_crystal_density_diffrn    3.202
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003429
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen radius = 1.276
Thompson, R. M.; Downs, R. T.; American Mineralogist 89 (2004) 614–628; doi:10.2138/am-2004-0416

data_9003430
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994)
 with O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen
 radius = 1.276
;
_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           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.027
_cell_length_b                   8.683
_cell_length_c                   5.013
_cell_volume                     784.677
_database_code_amcsd             0003519
_exptl_crystal_density_diffrn    3.399
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003430
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene with O3-O3-O3 angle = 180 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_9003431
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model protopyroxene with O3-O3-O3 angle = 180 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           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.037
_cell_length_b                   6.928
_cell_length_c                   4
_cell_volume                     195.009
_database_code_amcsd             0003520
_exptl_crystal_density_diffrn    6.839
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003431
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 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_9003432
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with
 O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 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           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.268
_cell_length_b                   9.102
_cell_length_c                   5.255
_cell_volume                     443.298
_database_code_amcsd             0003521
_exptl_crystal_density_diffrn    3.008
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003432