LMucko/crystallography-open-database huggingface dataset:
Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 4.92 GPa
McCarthy, A. C.; Downs, R. T.; Thompson, R. M.; American Mineralogist 93 (2008) 198–209; doi:10.2138/am.2008.2521

data_9010376
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 4.92 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_paper_doi               10.2138/am.2008.2521
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Clear Creek, San Benito County, California'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.140
_cell_angle_gamma                90
_cell_length_a                   9.3030
_cell_length_b                   8.4666
_cell_length_c                   5.1609
_cell_formula_units_Z            4
_cell_volume                     388.444
_database_code_amcsd             0004508
_diffrn_ambient_pressure         4.92e+06
_exptl_crystal_density_diffrn    3.456
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010376
Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 6.12 GPa
McCarthy, A. C.; Downs, R. T.; Thompson, R. M.; American Mineralogist 93 (2008) 198–209; doi:10.2138/am.2008.2521

data_9010377
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 6.12 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_paper_doi               10.2138/am.2008.2521
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Clear Creek, San Benito County, California'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.054
_cell_angle_gamma                90
_cell_length_a                   9.2793
_cell_length_b                   8.4446
_cell_length_c                   5.1474
_cell_formula_units_Z            4
_cell_volume                     385.614
_database_code_amcsd             0004509
_diffrn_ambient_pressure         6.12e+06
_exptl_crystal_density_diffrn    3.482
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010377
Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 7.17 GPa
McCarthy, A. C.; Downs, R. T.; Thompson, R. M.; American Mineralogist 93 (2008) 198–209; doi:10.2138/am.2008.2521

data_9010378
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 7.17 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_paper_doi               10.2138/am.2008.2521
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Clear Creek, San Benito County, California'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.979
_cell_angle_gamma                90
_cell_length_a                   9.2593
_cell_length_b                   8.4268
_cell_length_c                   5.1354
_cell_formula_units_Z            4
_cell_volume                     383.231
_database_code_amcsd             0004510
_diffrn_ambient_pressure         7.17e+06
_exptl_crystal_density_diffrn    3.503
_cod_original_cell_volume        383.230
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010378
Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 7.83 GPa
McCarthy, A. C.; Downs, R. T.; Thompson, R. M.; American Mineralogist 93 (2008) 198–209; doi:10.2138/am.2008.2521

data_9010379
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 7.83 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_paper_doi               10.2138/am.2008.2521
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Clear Creek, San Benito County, California'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.910
_cell_angle_gamma                90
_cell_length_a                   9.2455
_cell_length_b                   8.4137
_cell_length_c                   5.1269
_cell_formula_units_Z            4
_cell_volume                     381.572
_database_code_amcsd             0004511
_diffrn_ambient_pressure         7.83e+06
_exptl_crystal_density_diffrn    3.519
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010379
Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 8.54 GPa
McCarthy, A. C.; Downs, R. T.; Thompson, R. M.; American Mineralogist 93 (2008) 198–209; doi:10.2138/am.2008.2521

data_9010380
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 8.54 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_paper_doi               10.2138/am.2008.2521
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Clear Creek, San Benito County, California'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.854
_cell_angle_gamma                90
_cell_length_a                   9.2305
_cell_length_b                   8.3999
_cell_length_c                   5.1178
_cell_formula_units_Z            4
_cell_volume                     379.766
_database_code_amcsd             0004512
_diffrn_ambient_pressure         8.54e+06
_exptl_crystal_density_diffrn    3.535
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010380
Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 9.17 GPa
McCarthy, A. C.; Downs, R. T.; Thompson, R. M.; American Mineralogist 93 (2008) 198–209; doi:10.2138/am.2008.2521

data_9010381
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 9.17 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               209
_journal_paper_doi               10.2138/am.2008.2521
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Clear Creek, San Benito County, California'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.794
_cell_angle_gamma                90
_cell_length_a                   9.2185
_cell_length_b                   8.3871
_cell_length_c                   5.1099
_cell_formula_units_Z            4
_cell_volume                     378.229
_database_code_amcsd             0004513
_diffrn_ambient_pressure         9.17e+06
_exptl_crystal_density_diffrn    3.550
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010381
Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal XRD and NMR spectroscopic study Locality: synthetic
McCubbin, F. M.; Mason, H. E.; Park, H.; Phillips, B. L.; Parise, J. B.; Nekvasil, H.; Lindsley, D. H.; American Mineralogist 93 (2008) 210–216; doi:10.2138/am.2008.2557

data_9010382
_publ_section_title
;Synthesis and characterization of low-OH- fluor-chlorapatite: a
 single-crystal XRD and NMR spectroscopic study Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              210
_journal_page_last               216
_journal_paper_doi               10.2138/am.2008.2557
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Ca5 Cl0.4 F0.5 H0.1 O12.1 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_formula_units_Z            2
_cell_length_a                   9.441
_cell_length_b                   9.441
_cell_length_c                   6.835
_cell_volume                     527.600
_exptl_crystal_density_diffrn    3.215
_cod_original_formula_sum        'Ca5 Cl.4 P3 F.5 O12.1 H.1'
_cod_database_code               9010382
_database_code_amcsd 0004514
Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal XRD and NMR spectroscopic study Locality: synthetic
McCubbin, F. M.; Mason, H. E.; Park, H.; Phillips, B. L.; Parise, J. B.; Nekvasil, H.; Lindsley, D. H.; American Mineralogist 93 (2008) 210–216; doi:10.2138/am.2008.2557

data_9010383
_publ_section_title
;Synthesis and characterization of low-OH- fluor-chlorapatite: a
 single-crystal XRD and NMR spectroscopic study Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              210
_journal_page_last               216
_journal_paper_doi               10.2138/am.2008.2557
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Ca5 Cl0.4 F0.5 H0.1 O12.1 P3'
_chemical_name_mineral           Apatite-(CaF)
_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_formula_units_Z            2
_cell_length_a                   9.441
_cell_length_b                   9.441
_cell_length_c                   6.835
_cell_volume                     527.600
_exptl_crystal_density_diffrn    3.215
_cod_original_formula_sum        'Ca5 Cl.4 P3 F.5 O12.1 H.1'
_cod_database_code               9010383
_cod_duplicate_entry 9010382
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: P = 0.0001 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010384
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D1.456 H0.544 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7279
_cell_length_b                   8.9269
_cell_length_c                   8.4214
_cell_formula_units_Z            4
_cell_volume                     355.429
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.392
_cod_original_formula_sum        'Al2 Si O6 D1.456 H.544'
_cod_database_code               9010384
_database_code_amcsd 0004516
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 7 tons, P = 0.0001 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010385
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 7 tons, P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7316
_cell_length_b                   8.9328
_cell_length_c                   8.4286
_cell_formula_units_Z            4
_cell_volume                     356.247
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.395
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010385
_database_code_amcsd 0004517
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 15 tons, P = 0.7 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010386
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 15 tons, P = 0.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7248
_cell_length_b                   8.9250
_cell_length_c                   8.4100
_cell_formula_units_Z            4
_cell_volume                     354.640
_diffrn_ambient_pressure         7e+05
_exptl_crystal_density_diffrn    3.410
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010386
_database_code_amcsd 0004518
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 25 tons, P = 1.9 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010387
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 25 tons, P = 1.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7129
_cell_length_b                   8.9046
_cell_length_c                   8.3802
_cell_formula_units_Z            4
_cell_volume                     351.688
_diffrn_ambient_pressure         1.9e+06
_exptl_crystal_density_diffrn    3.439
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010387
_database_code_amcsd 0004519
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 38 tons, P = 3.6 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010388
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 38 tons, P = 3.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6978
_cell_length_b                   8.8786
_cell_length_c                   8.3390
_cell_formula_units_Z            4
_cell_volume                     347.819
_diffrn_ambient_pressure         3.6e+06
_exptl_crystal_density_diffrn    3.477
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010388
_database_code_amcsd 0004520
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 46 tons, P = 4.7 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010389
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 46 tons, P = 4.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6888
_cell_length_b                   8.8624
_cell_length_c                   8.3147
_cell_formula_units_Z            4
_cell_volume                     345.509
_diffrn_ambient_pressure         4.7e+06
_exptl_crystal_density_diffrn    3.500
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010389
_database_code_amcsd 0004521
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 58 tons, P = 6.2 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010390
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 58 tons, P = 6.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6755
_cell_length_b                   8.8410
_cell_length_c                   8.2823
_cell_formula_units_Z            4
_cell_volume                     342.358
_diffrn_ambient_pressure         6.2e+06
_exptl_crystal_density_diffrn    3.532
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010390
_database_code_amcsd 0004522
Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 70 tons, P = 7.5 GPa
Komatsu, K.; Kagi, H.; Marshall, W. G.; Kuribayashi, T.; Parise, J. B.; Kudoh, Y.; American Mineralogist 93 (2008) 217–227; doi:10.2138/am.2008.2483

data_9010391
_publ_section_title
;
 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron
 powder diffraction
 Locality: synthetic
 Sample: 70 tons, P = 7.5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              217
_journal_page_last               227
_journal_paper_doi               10.2138/am.2008.2483
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al2 D2 O6 Si'
_chemical_name_mineral           'Topaz (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6658
_cell_length_b                   8.8210
_cell_length_c                   8.2573
_cell_formula_units_Z            4
_cell_volume                     339.846
_diffrn_ambient_pressure         7.5e+06
_exptl_crystal_density_diffrn    3.559
_cod_original_formula_sum        'Al2 Si O6 D2'
_cod_database_code               9010391
_database_code_amcsd 0004523