LMucko/crystallography-open-database huggingface dataset:
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.5 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006539
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 7.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_structural     Co(OD)2
_chemical_formula_sum            'Co D2 O2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.084
_cell_length_b                   3.084
_cell_length_c                   4.363
_cell_formula_units_Z            1
_cell_volume                     35.937
_diffrn_ambient_pressure         7.5e+06
_exptl_crystal_density_diffrn    4.388
_cod_original_formula_sum        'Co O2 D2'
_cod_database_code               9006539
_database_code_amcsd 0008121
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 9.5 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006540
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 9.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_structural     Co(OD)2
_chemical_formula_sum            'Co D2 O2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.059
_cell_length_b                   3.059
_cell_length_c                   4.283
_cell_formula_units_Z            1
_cell_volume                     34.709
_diffrn_ambient_pressure         9.5e+06
_exptl_crystal_density_diffrn    4.543
_cod_original_formula_sum        'Co O2 D2'
_cod_database_code               9006540
_database_code_amcsd 0008122
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in air: P = 0.0001 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006541
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample in air: P = 0.0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.4264
_cell_length_b                   9.4264
_cell_length_c                   18.6962
_cell_formula_units_Z            8
_cell_volume                     1661.289
_database_code_amcsd             0008123
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.835
_cod_original_cell_volume        1661.288
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006541
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in Diamond Anvil Cell without pressure medium: P = 0.0001 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006542
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample in Diamond Anvil Cell without pressure medium: P = 0.0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.4266
_cell_length_b                   9.4266
_cell_length_c                   18.6952
_cell_formula_units_Z            8
_cell_volume                     1661.270
_database_code_amcsd             0008124
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.835
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006542
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 1.38 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006543
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample: P = 1.38 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.4007
_cell_length_b                   9.4007
_cell_length_c                   18.6574
_cell_formula_units_Z            8
_cell_volume                     1648.813
_database_code_amcsd             0008125
_diffrn_ambient_pressure         1.38e+06
_exptl_crystal_density_diffrn    4.872
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006543
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 2.66 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006544
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample: P = 2.66 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.3786
_cell_length_b                   9.3786
_cell_length_c                   18.6234
_cell_formula_units_Z            8
_cell_volume                     1638.080
_database_code_amcsd             0008126
_diffrn_ambient_pressure         2.66e+06
_exptl_crystal_density_diffrn    4.903
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006544
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 4.51 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006545
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample: P = 4.51 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.3480
_cell_length_b                   9.3480
_cell_length_c                   18.5739
_cell_formula_units_Z            8
_cell_volume                     1623.082
_database_code_amcsd             0008127
_diffrn_ambient_pressure         4.51e+06
_exptl_crystal_density_diffrn    4.949
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006545
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 5.63 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006546
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample: P = 5.63 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.3309
_cell_length_b                   9.3309
_cell_length_c                   18.5455
_cell_formula_units_Z            8
_cell_volume                     1614.677
_database_code_amcsd             0008128
_diffrn_ambient_pressure         5.63e+06
_exptl_crystal_density_diffrn    4.975
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006546
Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 7.69 GPa
Miletich, R.; Allan, D. R.; Angel, R. J.; Physics and Chemistry of Minerals 25 (1998) 183–192; doi:10.1007/s002690050101

data_9006547
_publ_section_title
;
 Structural control of polyhedral compression in synthetic braunite,
 Mn2+Mn3+6O8SiO4
 Sample: P = 7.69 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              183
_journal_page_last               192
_journal_paper_doi               10.1007/s002690050101
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_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                   9.2998
_cell_length_b                   9.2998
_cell_length_c                   18.4957
_cell_formula_units_Z            8
_cell_volume                     1599.624
_database_code_amcsd             0008129
_diffrn_ambient_pressure         7.69e+06
_exptl_crystal_density_diffrn    5.021
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9006547
Structural properties of alpha-berlinite (AlPO4) Sample: V = 77.16, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006548
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 77.16, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.9414
_cell_length_b                   4.9414
_cell_length_c                   10.947
_cell_formula_units_Z            3
_cell_volume                     231.487
_database_code_amcsd             0008130
_exptl_crystal_density_diffrn    2.624
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006548
Structural properties of alpha-berlinite (AlPO4) Sample: V = 75.00, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006549
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 75.00, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8955
_cell_length_b                   4.8955
_cell_length_c                   10.841
_cell_formula_units_Z            3
_cell_volume                     225.006
_database_code_amcsd             0008131
_exptl_crystal_density_diffrn    2.700
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006549
Structural properties of alpha-berlinite (AlPO4) Sample: V = 72.50, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006550
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 72.50, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8335
_cell_length_b                   4.8335
_cell_length_c                   10.750
_cell_formula_units_Z            3
_cell_volume                     217.502
_database_code_amcsd             0008132
_exptl_crystal_density_diffrn    2.793
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006550
Structural properties of alpha-berlinite (AlPO4) Sample: V = 71.09, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006551
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 71.09, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7962
_cell_length_b                   4.7962
_cell_length_c                   10.705
_cell_formula_units_Z            3
_cell_volume                     213.261
_database_code_amcsd             0008133
_exptl_crystal_density_diffrn    2.849
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006551
Structural properties of alpha-berlinite (AlPO4) Sample: V = 69.45, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006552
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 69.45, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7463
_cell_length_b                   4.7463
_cell_length_c                   10.679
_cell_formula_units_Z            3
_cell_volume                     208.339
_database_code_amcsd             0008134
_exptl_crystal_density_diffrn    2.916
_cod_original_cell_volume        208.340
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006552
Structural properties of alpha-berlinite (AlPO4) Sample: V = 65.59, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006553
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 65.59, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6314
_cell_length_b                   4.6314
_cell_length_c                   10.593
_cell_formula_units_Z            3
_cell_volume                     196.777
_database_code_amcsd             0008135
_exptl_crystal_density_diffrn    3.087
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006553
Structural properties of alpha-berlinite (AlPO4) Sample: V = 61.73, theoretical
Christie, D. M.; Chelikowsky, J. R.; Physics and Chemistry of Minerals 25 (1998) 222–226; doi:10.1007/s002690050106

data_9006554
_publ_section_title
;
 Structural properties of alpha-berlinite (AlPO4)
 Sample: V = 61.73, theoretical
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              222
_journal_page_last               226
_journal_paper_doi               10.1007/s002690050106
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Al O4 P'
_chemical_name_mineral           Berlinite
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.5191
_cell_length_b                   4.5191
_cell_length_c                   10.471
_cell_formula_units_Z            3
_cell_volume                     185.192
_database_code_amcsd             0008136
_exptl_crystal_density_diffrn    3.280
_cod_original_formula_sum        'Al P O4'
_cod_struct_determination_method theoretical
_cod_database_code               9006554
Structure, ordering and cation interactions in Ca-free P2_1/c clinopyroxenes Sample: H162 Note: x coordinate of O2B changed by author, May, 2004
Angel, R. J.; McCammon, C. A.; Woodland, A. B.; Physics and Chemistry of Minerals 25 (1998) 249–258; doi:10.1007/s002690050111

data_9006555
_publ_section_title
;
 Structure, ordering and cation interactions in Ca-free P2_1/c clinopyroxenes
 Sample: H162
 Note: x coordinate of O2B changed by author, May, 2004
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              249
_journal_page_last               258
_journal_paper_doi               10.1007/s002690050111
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'Fe0.39 Mg0.61 O3 Si'
_chemical_name_mineral           Pigeonite
_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                 108.590
_cell_angle_gamma                90
_cell_length_a                   9.6519
_cell_length_b                   8.9075
_cell_length_c                   5.2004
_cell_formula_units_Z            8
_cell_volume                     423.773
_database_code_amcsd             0008137
_exptl_crystal_density_diffrn    3.533
_cod_original_formula_sum        '(Mg.61 Fe.39) Si O3'
_cod_database_code               9006555