LMucko/crystallography-open-database huggingface dataset:
High-pressure properties of diaspore, AlO(OH) Sample: p = 5.71 GPa
Friedrich, A.; Wilson, D. J.; Haussuhl, E.; Winkler, B.; Morgenroth, W.; Refson, K.; Milman, V.; Physics and Chemistry of Minerals 34 (2007) 145–157; doi:10.1007/s00269-006-0135-5

data_9010885
_publ_section_title
;
 High-pressure properties of diaspore, AlO(OH)
 Sample: p = 5.71 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              145
_journal_page_last               157
_journal_paper_doi               10.1007/s00269-006-0135-5
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Diaspore
_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                   4.328
_cell_length_b                   9.336
_cell_length_c                   2.818
_cell_formula_units_Z            4
_cell_volume                     113.865
_database_code_amcsd             0009055
_exptl_crystal_density_diffrn    3.499
_cod_original_formula_sum        'Al O2 H'
_cod_database_code               9010885
High-pressure properties of diaspore, AlO(OH) Sample: p = 7.1 GPa
Friedrich, A.; Wilson, D. J.; Haussuhl, E.; Winkler, B.; Morgenroth, W.; Refson, K.; Milman, V.; Physics and Chemistry of Minerals 34 (2007) 145–157; doi:10.1007/s00269-006-0135-5

data_9010886
_publ_section_title
;
 High-pressure properties of diaspore, AlO(OH)
 Sample: p = 7.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              145
_journal_page_last               157
_journal_paper_doi               10.1007/s00269-006-0135-5
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Diaspore
_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                   4.315
_cell_length_b                   9.32
_cell_length_c                   2.812
_cell_formula_units_Z            4
_cell_volume                     113.087
_database_code_amcsd             0009056
_exptl_crystal_density_diffrn    3.523
_cod_original_formula_sum        'Al O2 H'
_cod_database_code               9010886
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 20 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010887
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 20 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.2429
_cell_length_b                   8.8171
_cell_length_c                   5.1894
_cell_formula_units_Z            8
_cell_volume                     834.712
_database_code_amcsd             0009057
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    3.259
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010887
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,200 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010888
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,200 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4588
_cell_length_b                   8.9638
_cell_length_c                   5.2848
_cell_formula_units_Z            8
_cell_volume                     874.428
_database_code_amcsd             0009058
_diffrn_ambient_temperature      1473.15
_exptl_crystal_density_diffrn    3.111
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010888
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,175 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010889
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,175 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4517
_cell_length_b                   8.9612
_cell_length_c                   5.2797
_cell_formula_units_Z            8
_cell_volume                     872.995
_database_code_amcsd             0009059
_diffrn_ambient_temperature      1448.15
_exptl_crystal_density_diffrn    3.116
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010889
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,150 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010890
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,150 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4450
_cell_length_b                   8.9589
_cell_length_c                   5.2749
_cell_formula_units_Z            8
_cell_volume                     871.661
_database_code_amcsd             0009060
_diffrn_ambient_temperature      1423.15
_exptl_crystal_density_diffrn    3.120
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010890
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,125 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010891
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,125 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4378
_cell_length_b                   8.9555
_cell_length_c                   5.2711
_cell_formula_units_Z            8
_cell_volume                     870.363
_database_code_amcsd             0009061
_diffrn_ambient_temperature      1398.15
_exptl_crystal_density_diffrn    3.125
_cod_original_cell_volume        870.362
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010891
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,100 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010892
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,100 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4314
_cell_length_b                   8.9520
_cell_length_c                   5.2674
_cell_formula_units_Z            8
_cell_volume                     869.110
_database_code_amcsd             0009062
_diffrn_ambient_temperature      1373.15
_exptl_crystal_density_diffrn    3.130
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010892
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,075 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010893
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,075 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4244
_cell_length_b                   8.9481
_cell_length_c                   5.2639
_cell_formula_units_Z            8
_cell_volume                     867.824
_database_code_amcsd             0009063
_diffrn_ambient_temperature      1348.15
_exptl_crystal_density_diffrn    3.134
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010893
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,050 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010894
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,050 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4197
_cell_length_b                   8.9449
_cell_length_c                   5.2609
_cell_formula_units_Z            8
_cell_volume                     866.798
_database_code_amcsd             0009064
_diffrn_ambient_temperature      1323.15
_exptl_crystal_density_diffrn    3.138
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010894
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,025 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010895
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,025 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4125
_cell_length_b                   8.9408
_cell_length_c                   5.2577
_cell_formula_units_Z            8
_cell_volume                     865.536
_database_code_amcsd             0009065
_diffrn_ambient_temperature      1298.15
_exptl_crystal_density_diffrn    3.142
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010895
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,000 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010896
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 1,000 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.4047
_cell_length_b                   8.9366
_cell_length_c                   5.2543
_cell_formula_units_Z            8
_cell_volume                     864.203
_database_code_amcsd             0009066
_diffrn_ambient_temperature      1273.15
_exptl_crystal_density_diffrn    3.147
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010896
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 975 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010897
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 975 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.3995
_cell_length_b                   8.9329
_cell_length_c                   5.2519
_cell_formula_units_Z            8
_cell_volume                     863.207
_database_code_amcsd             0009067
_diffrn_ambient_temperature      1248.15
_exptl_crystal_density_diffrn    3.151
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010897
High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 150 C
Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.; Physics and Chemistry of Minerals 34 (2007) 185–200; doi:10.1007/s00269-006-0138-2

data_9010898
_publ_section_title
;
 High temperature structural and thermoelastic behaviour of mantle
 orthopyroxene: an in situ neutron powder diffraction study
 Sample: T = 150 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              185
_journal_page_last               200
_journal_paper_doi               10.1007/s00269-006-0138-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al0.03 Fe0.15 Mg1.82 O6 Si1.97'
_chemical_name_mineral           Enstatite
_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_length_a                   18.2513
_cell_length_b                   8.8274
_cell_length_c                   5.1929
_cell_formula_units_Z            8
_cell_volume                     836.636
_database_code_amcsd             0009068
_diffrn_ambient_temperature      423.15
_exptl_crystal_density_diffrn    3.251
_cod_original_formula_sum        'Mg1.82 Fe.15 Si1.97 Al.03 O6'
_cod_database_code               9010898
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .07 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010899
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = .07 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_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                   3.5717
_cell_length_b                   3.57
_cell_length_c                   4.8743
_cell_formula_units_Z            1
_cell_volume                     53.825
_diffrn_ambient_pressure         70000
_exptl_crystal_density_diffrn    2.348
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010899
_database_code_amcsd 0009069
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .15 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010900
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = .15 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_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                   3.5692
_cell_length_b                   3.5692
_cell_length_c                   4.8758
_cell_formula_units_Z            1
_cell_volume                     53.792
_diffrn_ambient_pressure         1.5e+05
_exptl_crystal_density_diffrn    2.349
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010900
_database_code_amcsd 0009070