LMucko/crystallography-open-database huggingface dataset:
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 21.9 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007037
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 21.9 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8769
_cell_length_b                   7.8769
_cell_length_c                   7.8769
_cell_formula_units_Z            8
_cell_volume                     488.727
_database_code_amcsd             0008622
_diffrn_ambient_pressure         2.19e+07
_exptl_crystal_density_diffrn    4.984
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007037
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 23.8 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007038
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 23.8 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8629
_cell_length_b                   7.8629
_cell_length_c                   7.8629
_cell_formula_units_Z            8
_cell_volume                     486.125
_database_code_amcsd             0008623
_diffrn_ambient_pressure         2.38e+07
_exptl_crystal_density_diffrn    5.010
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007038
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 25.4 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007039
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 25.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8523
_cell_length_b                   7.8523
_cell_length_c                   7.8523
_cell_formula_units_Z            8
_cell_volume                     484.162
_database_code_amcsd             0008624
_diffrn_ambient_pressure         2.54e+07
_exptl_crystal_density_diffrn    5.031
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007039
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 27.2 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007040
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 27.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8389
_cell_length_b                   7.8389
_cell_length_c                   7.8389
_cell_formula_units_Z            8
_cell_volume                     481.687
_database_code_amcsd             0008625
_diffrn_ambient_pressure         2.72e+07
_exptl_crystal_density_diffrn    5.057
_cod_original_cell_volume        481.688
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007040
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 29.8 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007041
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 29.8 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8231
_cell_length_b                   7.8231
_cell_length_c                   7.8231
_cell_formula_units_Z            8
_cell_volume                     478.781
_database_code_amcsd             0008626
_diffrn_ambient_pressure         2.98e+07
_exptl_crystal_density_diffrn    5.087
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007041
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 32.2 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007042
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 32.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8083
_cell_length_b                   7.8083
_cell_length_c                   7.8083
_cell_formula_units_Z            8
_cell_volume                     476.069
_database_code_amcsd             0008627
_diffrn_ambient_pressure         3.22e+07
_exptl_crystal_density_diffrn    5.116
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007042
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 35.2 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007043
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 35.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.7900
_cell_length_b                   7.7900
_cell_length_c                   7.7900
_cell_formula_units_Z            8
_cell_volume                     472.729
_database_code_amcsd             0008628
_diffrn_ambient_pressure         3.52e+07
_exptl_crystal_density_diffrn    5.152
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007043
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 39.8 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007044
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 39.8 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.7620
_cell_length_b                   7.7620
_cell_length_c                   7.7620
_cell_formula_units_Z            8
_cell_volume                     467.650
_database_code_amcsd             0008629
_diffrn_ambient_pressure         3.98e+07
_exptl_crystal_density_diffrn    5.208
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007044
Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 42.9 GPa
Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.; Physics and Chemistry of Minerals 28 (2001) 612–618; doi:10.1007/s002690100194

data_9007045
_publ_section_title
;
 Structure and compressibility of synthetic ZnAl2O4 (gahnite) under
 high-pressure conditions, from synchrotron X-ray powder diffraction
 Sample: P = 42.9 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              612
_journal_page_last               618
_journal_paper_doi               10.1007/s002690100194
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.7452
_cell_length_b                   7.7452
_cell_length_c                   7.7452
_cell_formula_units_Z            8
_cell_volume                     464.620
_database_code_amcsd             0008630
_diffrn_ambient_pressure         4.29e+07
_exptl_crystal_density_diffrn    5.242
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9007045
The electric field gradient in synthetic fayalite alpha-Fe2SiO4 at moderate temperatures Sample: T = 153 K
Lottermoser, W.; Steiner, K.; Grodzicki, M.; Jiang, K.; Scharfetter, G.; Bats, J. W.; Redhammer, G. J.; Treutmann, W.; Hosoya, S.; Amthauer, G.; Physics and Chemistry of Minerals 29 (2002) 112–121; doi:10.1007/s00269-001-0226-2

data_9007046
_publ_section_title
;
 The electric field gradient in synthetic fayalite alpha-Fe2SiO4
 at moderate temperatures
 Sample: T = 153 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              112
_journal_page_last               121
_journal_paper_doi               10.1007/s00269-001-0226-2
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'Fe2 O4 Si'
_chemical_name_mineral           Fayalite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4597
_cell_length_b                   6.0818
_cell_length_c                   4.8150
_cell_formula_units_Z            4
_cell_volume                     306.300
_database_code_amcsd             0008631
_diffrn_ambient_temperature      153
_exptl_crystal_density_diffrn    4.419
_cod_original_formula_sum        'Fe2 Si O4'
_cod_database_code               9007046
Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction Sample: T = 300 K, epsilon FeSi phase
Vocadlo, L.; Knight, K. S.; Price, G. D.; Wood, I. G.; Physics and Chemistry of Minerals 29 (2002) 132–139; doi:10.1007/s002690100202

data_9007047
_publ_section_title
;
 Thermal expansion and crystal structure of FeSi between 4 and 1173 K
 determined by time-of-flight neutron powder diffraction
 Sample: T = 300 K, epsilon FeSi phase
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              132
_journal_page_last               139
_journal_paper_doi               10.1007/s002690100202
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'Fe Si'
_chemical_name_mineral           FeSi
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.55070
_cell_length_b                   4.55070
_cell_length_c                   4.55070
_cell_formula_units_Z            4
_cell_volume                     94.240
_database_code_amcsd             0008632
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    5.916
_cod_database_code               9007047
Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 128 K
Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.; Physics and Chemistry of Minerals 29 (2002) 254–260; doi:10.1007/s00269-001-0227-1

data_9007048
_publ_section_title
;
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 128 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              254
_journal_page_last               260
_journal_paper_doi               10.1007/s00269-001-0227-1
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.292
_cell_length_b                   3.828
_cell_length_c                   11.205
_cell_formula_units_Z            4
_cell_volume                     484.345
_database_code_amcsd             0008633
_diffrn_ambient_temperature      128
_exptl_crystal_density_diffrn    4.659
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9007048
Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 173 K
Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.; Physics and Chemistry of Minerals 29 (2002) 254–260; doi:10.1007/s00269-001-0227-1

data_9007049
_publ_section_title
;
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 173 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              254
_journal_page_last               260
_journal_paper_doi               10.1007/s00269-001-0227-1
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.299
_cell_length_b                   3.828
_cell_length_c                   11.214
_cell_formula_units_Z            4
_cell_volume                     485.034
_database_code_amcsd             0008634
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    4.652
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9007049
Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 225 K
Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.; Physics and Chemistry of Minerals 29 (2002) 254–260; doi:10.1007/s00269-001-0227-1

data_9007050
_publ_section_title
;
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 225 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              254
_journal_page_last               260
_journal_paper_doi               10.1007/s00269-001-0227-1
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.305
_cell_length_b                   3.836
_cell_length_c                   11.223
_cell_formula_units_Z            4
_cell_volume                     486.696
_database_code_amcsd             0008635
_diffrn_ambient_temperature      225
_exptl_crystal_density_diffrn    4.636
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9007050
Low-temperature crystal structures of stibnite implying orbital overlap of Sb 5s2 inert pair electrons Sample: T = 293 K
Kyono, A.; Kimata, M.; Matsuhisa, M.; Miyashita, Y.; Okamoto, K.; Physics and Chemistry of Minerals 29 (2002) 254–260; doi:10.1007/s00269-001-0227-1

data_9007051
_publ_section_title
;
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 293 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              254
_journal_page_last               260
_journal_paper_doi               10.1007/s00269-001-0227-1
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'S3 Sb2'
_chemical_name_mineral           Stibnite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.314
_cell_length_b                   3.837
_cell_length_c                   11.234
_cell_formula_units_Z            4
_cell_volume                     487.688
_database_code_amcsd             0008636
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.627
_cod_original_formula_sum        'Sb2 S3'
_cod_database_code               9007051
Non-convergent ordering and displacive phase transition in pigeonite: in situ HT XRD study Sample: hga, T = 25 C
Camara, F.; Carpenter, M. A.; Domeneghetti, M. C.; Tazzoli, V.; Physics and Chemistry of Minerals 29 (2002) 331–340; doi:10.1007/s00269-002-0241-y

data_9007052
_publ_section_title
;
 Non-convergent ordering and displacive phase transition in pigeonite:
 in situ HT XRD study
 Sample: hga, T = 25 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              331
_journal_page_last               340
_journal_paper_doi               10.1007/s00269-002-0241-y
_journal_volume                  29
_journal_year                    2002
_chemical_compound_source        'from rhyodacite, Parana, Brazil'
_chemical_formula_sum            'Ca0.107 Fe0.416 Mg0.463 Mn0.014 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                 108.49
_cell_angle_gamma                90
_cell_length_a                   9.719
_cell_length_b                   8.947
_cell_length_c                   5.251
_cell_formula_units_Z            8
_cell_volume                     433.035
_database_code_amcsd             0008637
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.547
_cod_original_formula_sum        '(Mg.463 Fe.416 Mn.014 Ca.107) Si O3'
_cod_database_code               9007052