LMucko/crystallography-open-database huggingface dataset:
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312 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_9003433
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle =
 166.2 and model oxygen radius = 1.312 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                   9.199
_cell_length_b                   9.026
_cell_length_c                   5.211
_cell_volume                     432.670
_database_code_amcsd             0003522
_exptl_crystal_density_diffrn    3.082
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003433
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306 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_9003434
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle =
 165.9 and model oxygen radius = 1.306 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                   9.154
_cell_length_b                   8.981
_cell_length_c                   5.185
_cell_volume                     426.270
_database_code_amcsd             0003523
_exptl_crystal_density_diffrn    3.129
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003434
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx with O3A-O3A-O3A angle = 120, O3B-O3B-O3B angle = 240, 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_9003435
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model hi-P protopx with O3A-O3A-O3A angle = 120, O3B-O3B-O3B angle =
 240, 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
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.532
_cell_length_b                   6
_cell_length_c                   3.464
_cell_volume                     135.761
_database_code_amcsd             0003524
_exptl_crystal_density_diffrn    9.823
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003435
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx at 2.50 GPa after Yang et al. (1999) with O3A-O3A-O3A angle = 154.0, O3B-O3B-O3B angle = 212.1, and model oxygen radius = 1.315 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_9003436
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model hi-P protopx at 2.50 GPa after Yang et al. (1999) with
 O3A-O3A-O3A angle = 154.0, O3B-O3B-O3B angle = 212.1, and model oxygen radius
 = 1.315 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
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.127
_cell_length_b                   8.877
_cell_length_c                   5.125
_cell_volume                     415.229
_database_code_amcsd             0003525
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003436
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx at 9.98 GPa after Yang et al. (1999) with O3A-O3A-O3A angle = 147.8, O3B-O3B-O3B angle = 220.8, and model oxygen radius = 1.307 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_9003437
_publ_section_title
;Model pyroxenes II: Structural variation as a function of tetrahedral
 rotation model hi-P protopx at 9.98 GPa after Yang et al. (1999) with
 O3A-O3A-O3A angle = 147.8, O3B-O3B-O3B angle = 220.8, and model oxygen radius
 = 1.307 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
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.002
_cell_length_b                   8.698
_cell_length_c                   5.022
_cell_volume                     393.220
_database_code_amcsd             0003526
_exptl_crystal_density_diffrn    3.391
_cod_original_formula_sum        'Mg Si O3'
_cod_structure_determination_method theoretical
_cod_database_code               9003437
Mn-rich fluorapatite from Austria: Crystal structure, chemical analysis, and spectroscopic investigations
Hughes, John M.; Ertl, Andreas; Bernhardt, Heinz-Jürgen; Rossman, George R.; Rakovan, John F.; American Mineralogist 89 (2004) 629–632; doi:

data_9003438
_publ_section_title
;
 Mn-rich fluorapatite from Austria: Crystal structure, chemical analysis, and
 spectroscopic investigations
;
_journal_name_full               'American Mineralogist'
_journal_page_first              629
_journal_page_last               632
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ca4.32 F Mn0.68 O12 P3'
_chemical_name_mineral           Fluorapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3429
_cell_length_b                   9.3429
_cell_length_c                   6.8110
_cell_formula_units_Z            2
_cell_volume                     514.879
_cod_depositor_comments
;
    Correcting the spelling of the title ("Autria"->"Austria") after
    consulting bibliography at http://ammin.geoscienceworld.org/content/89/4/629.abstract

    Correcting syntax of author names and manually adding full author
    first names from the bibliographic data at
    http://ammin.geoscienceworld.org/content/89/4/629.abstract

    Saulius Gra\<zulis
    2013-09-22
;
_cod_original_formula_sum        '(Ca4.32 Mn.68) P3 O12 F'
_cod_database_code               9003438
_database_code_amcsd 0003527
Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in air
Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.; American Mineralogist 89 (2004) 633–639; doi:

data_9003439
_publ_section_title
;Isothermal equation of state and compressional behavior of tetragonal
 edingtonite Sample at P = 0.0001 GPa in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              633
_journal_page_last               639
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al1.96 Ba0.94 H8 O13.54 Si3.04'
_chemical_name_mineral           Edingtonite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5909
_cell_length_b                   9.5909
_cell_length_c                   6.5339
_cell_volume                     601.023
_database_code_amcsd             0003529
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.719
_exptl_crystal_pressure_history  'P = 0.0001 GPa in air'
_cod_original_formula_sum        'Ba.94 (Si3.04 Al1.96) O13.54 H8'
_cod_database_code               9003439
Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in diamond cell
Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.; American Mineralogist 89 (2004) 633–639; doi:

data_9003440
_publ_section_title
;Isothermal equation of state and compressional behavior of tetragonal
 edingtonite Sample at P = 0.0001 GPa in diamond cell
;
_journal_name_full               'American Mineralogist'
_journal_page_first              633
_journal_page_last               639
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al1.96 Ba0.91 H8 O13.32 Si3.04'
_chemical_name_mineral           Edingtonite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5909
_cell_length_b                   9.5909
_cell_length_c                   6.5339
_cell_volume                     601.023
_database_code_amcsd             0003530
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.677
_exptl_crystal_pressure_history  'P = 0.0001 GPa in diamond cell'
_cod_original_formula_sum        'Ba.91 (Si3.04 Al1.96) O13.32 H8'
_cod_database_code               9003440
Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 2.285 GPa
Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.; American Mineralogist 89 (2004) 633–639; doi:

data_9003441
_publ_section_title
;Isothermal equation of state and compressional behavior of tetragonal
 edingtonite Sample at P = 2.285 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              633
_journal_page_last               639
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al1.96 Ba0.88 H8 O13.32 Si3.04'
_chemical_name_mineral           Edingtonite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4669
_cell_length_b                   9.4669
_cell_length_c                   6.4765
_cell_volume                     580.438
_database_code_amcsd             0003531
_diffrn_ambient_pressure         2.285e+06
_exptl_crystal_density_diffrn    2.748
_cod_original_formula_sum        'Ba.88 (Si3.04 Al1.96) O13.32 H8'
_cod_database_code               9003441
Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 4.611 GPa
Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.; American Mineralogist 89 (2004) 633–639; doi:

data_9003442
_publ_section_title
;Isothermal equation of state and compressional behavior of tetragonal
 edingtonite Sample at P = 4.611 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              633
_journal_page_last               639
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al1.96 Ba0.89 H7.68 O13.32 Si3.04'
_chemical_name_mineral           Edingtonite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.3466
_cell_length_b                   9.3466
_cell_length_c                   6.42705
_cell_volume                     561.460
_database_code_amcsd             0003532
_diffrn_ambient_pressure         4.611e+06
_exptl_crystal_density_diffrn    2.847
_cod_original_formula_sum        'Ba.89 (Si3.04 Al1.96) O13.32 H7.68'
_cod_database_code               9003442
Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole
Iezzi, G.; Della Ventura, G.; Oberti, R.; Camara, F.; Holtz, F.; American Mineralogist 89 (2004) 640–646; doi:

data_9003443
_publ_section_title
'Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole'
_journal_name_full               'American Mineralogist'
_journal_page_first              640
_journal_page_last               646
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     Na(NaMg)Mg5Si8O22(OH)2
_chemical_formula_sum            'H2 Mg6 Na2 O24 Si8'
_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                 102.50
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.689
_cell_length_b                   17.938
_cell_length_c                   5.268
_cell_volume                     893.882
_database_code_amcsd             0003533
_exptl_crystal_density_diffrn    2.982
_cod_original_formula_sum        'Na2 Mg6 Si8 O24 H2'
_cod_database_code               9003443
_amcsd_formula_title             Na(NaMg)Mg5Si8O22(OH)2
A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 0.0001 GPa
Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.; American Mineralogist 89 (2004) 647–653; doi:

data_9003444
_publ_section_title
;
 A single-crystal study on the pressure behavior of phlogopite
 and petrological implications
 P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              647
_journal_page_last               653
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72'
_chemical_name_mineral           Phlogopite
_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                 100.02
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.337
_cell_length_b                   9.240
_cell_length_c                   10.237
_cell_volume                     497.126
_database_code_amcsd             0003534
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.967
_cod_original_formula_sum
'K.91 Ba.03 Na.02 (Si2.72 Al1.28) (Mg2.18 Fe.82) O11.82 F.18 H1.72'
_cod_database_code               9003444
A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 1.2 GPa
Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.; American Mineralogist 89 (2004) 647–653; doi:

data_9003445
_publ_section_title
;
 A single-crystal study on the pressure behavior of phlogopite
 and petrological implications
 P = 1.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              647
_journal_page_last               653
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72'
_chemical_name_mineral           Phlogopite
_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                 100.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.318
_cell_length_b                   9.210
_cell_length_c                   10.10
_cell_volume                     486.989
_database_code_amcsd             0003535
_diffrn_ambient_pressure         1.2e+06
_exptl_crystal_density_diffrn    3.029
_cod_original_formula_sum
'K.91 Ba.03 Na.02 (Si2.72 Al1.28) (Mg2.18 Fe.82) O11.82 F.18 H1.72'
_cod_database_code               9003445
A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 3.2 GPa
Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.; American Mineralogist 89 (2004) 647–653; doi:

data_9003446
_publ_section_title
;
 A single-crystal study on the pressure behavior of phlogopite
 and petrological implications
 P = 3.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              647
_journal_page_last               653
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72'
_chemical_name_mineral           Phlogopite
_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                 100.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.291
_cell_length_b                   9.160
_cell_length_c                   9.90
_cell_volume                     472.077
_database_code_amcsd             0003536
_diffrn_ambient_pressure         3.2e+06
_exptl_crystal_density_diffrn    3.124
_cod_original_formula_sum
'K.91 Ba.03 Na.02 (Si2.72 Al1.28) (Mg2.18 Fe.82) O11.82 F.18 H1.72'
_cod_database_code               9003446
A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 5.0 GPa
Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.; American Mineralogist 89 (2004) 647–653; doi:

data_9003447
_publ_section_title
;
 A single-crystal study on the pressure behavior of phlogopite
 and petrological implications
 P = 5.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              647
_journal_page_last               653
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72'
_chemical_name_mineral           Phlogopite
_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                 100.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.271
_cell_length_b                   9.130
_cell_length_c                   9.78
_cell_volume                     463.070
_database_code_amcsd             0003537
_diffrn_ambient_pressure         5e+06
_exptl_crystal_density_diffrn    3.185
_cod_original_formula_sum
'K.91 Ba.03 Na.02 (Si2.72 Al1.28) (Mg2.18 Fe.82) O11.82 F.18 H1.72'
_cod_database_code               9003447
A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 6.0 GPa
Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.; American Mineralogist 89 (2004) 647–653; doi:

data_9003448
_publ_section_title
;
 A single-crystal study on the pressure behavior of phlogopite
 and petrological implications
 P = 6.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              647
_journal_page_last               653
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72'
_chemical_name_mineral           Phlogopite
_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                 100.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.256
_cell_length_b                   9.105
_cell_length_c                   9.71
_cell_volume                     457.047
_database_code_amcsd             0003538
_diffrn_ambient_pressure         6e+06
_exptl_crystal_density_diffrn    3.227
_cod_original_formula_sum
'K.91 Ba.03 Na.02 (Si2.72 Al1.28) (Mg2.18 Fe.82) O11.82 F.18 H1.72'
_cod_database_code               9003448