LMucko/crystallography-open-database huggingface dataset:
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 101.3 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013128
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 101.3 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.8704
_cell_length_b                   3.8704
_cell_length_c                   2.9123
_cell_formula_units_Z            3
_cell_volume                     37.781
_database_code_amcsd             0012744
_diffrn_ambient_pressure         1.013e+08
_exptl_crystal_density_diffrn    10.411
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013128
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 110 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013129
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 110 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.834
_cell_length_b                   3.834
_cell_length_c                   2.848
_cell_formula_units_Z            3
_cell_volume                     36.256
_database_code_amcsd             0012745
_diffrn_ambient_pressure         1.1e+08
_exptl_crystal_density_diffrn    10.849
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013129
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 120 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013130
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 120 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.829
_cell_length_b                   3.829
_cell_length_c                   2.791
_cell_formula_units_Z            3
_cell_volume                     35.437
_database_code_amcsd             0012746
_diffrn_ambient_pressure         1.2e+08
_exptl_crystal_density_diffrn    11.100
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013130
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 130 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013131
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 130 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.838
_cell_length_b                   3.838
_cell_length_c                   2.695
_cell_formula_units_Z            3
_cell_volume                     34.379
_database_code_amcsd             0012747
_diffrn_ambient_pressure         1.3e+08
_exptl_crystal_density_diffrn    11.441
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013131
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013132
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.850
_cell_length_b                   3.850
_cell_length_c                   2.645
_cell_formula_units_Z            3
_cell_volume                     33.953
_database_code_amcsd             0012748
_diffrn_ambient_pressure         1.4e+08
_exptl_crystal_density_diffrn    11.585
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013132
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013133
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.844
_cell_length_b                   3.844
_cell_length_c                   2.635
_cell_formula_units_Z            3
_cell_volume                     33.719
_database_code_amcsd             0012749
_diffrn_ambient_pressure         1.425e+08
_exptl_crystal_density_diffrn    11.665
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013133
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note: structure known as bcc, phase Se VI
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013134
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note:
 structure known as bcc, phase Se VI
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8220
_cell_length_b                   2.8220
_cell_length_c                   2.8220
_cell_formula_units_Z            2
_cell_volume                     22.474
_database_code_amcsd             0012750
_diffrn_ambient_pressure         1.4e+08
_exptl_crystal_density_diffrn    11.669
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9013134
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note: structure known as bcc, phase Se VI
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013135
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note:
 structure known as bcc, phase Se VI
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8159
_cell_length_b                   2.8159
_cell_length_c                   2.8159
_cell_formula_units_Z            2
_cell_volume                     22.328
_database_code_amcsd             0012751
_diffrn_ambient_pressure         1.425e+08
_exptl_crystal_density_diffrn    11.744
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9013135
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 146.5 GPa Note: structure known as bcc, phase Se VI
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013136
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 146.5 GPa Note:
 structure known as bcc, phase Se VI
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8076
_cell_length_b                   2.8076
_cell_length_c                   2.8076
_cell_formula_units_Z            2
_cell_volume                     22.131
_database_code_amcsd             0012752
_diffrn_ambient_pressure         1.465e+08
_exptl_crystal_density_diffrn    11.849
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9013136
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 150 GPa Note: structure known as bcc, phase Se VI
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013137
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 150 GPa Note:
 structure known as bcc, phase Se VI
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.7941
_cell_length_b                   2.7941
_cell_length_c                   2.7941
_cell_formula_units_Z            2
_cell_volume                     21.814
_database_code_amcsd             0012753
_diffrn_ambient_pressure         1.5e+08
_exptl_crystal_density_diffrn    12.022
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9013137
Structure and phase transformation of rhombohedral selenium composed of Se6 molecules Locality: synthetic
Miyamoto, Y.; Japanese Journal of Applied Physics 19 (1980) 1813–1819; doi:10.1143/JJAP.19.1813

data_9013138
_publ_section_title
;Structure and phase transformation of rhombohedral selenium composed of Se6
 molecules Locality: synthetic
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1813
_journal_page_last               1819
_journal_paper_doi               10.1143/JJAP.19.1813
_journal_volume                  19
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Se6'
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.362
_cell_length_b                   11.362
_cell_length_c                   4.429
_cell_formula_units_Z            3
_cell_volume                     495.160
_database_code_amcsd             0012739
_exptl_crystal_density_diffrn    4.766
_cod_depositor_comments
;

2024-05-14
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            Se
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               9013138
Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note: changed N4 location to match reported bond distances
Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I.; Ceramics International 21 (1995) 137–142; doi:10.1016/0272-8842(95)95885-L

data_9013139
_publ_section_title
;Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice
 husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note:
 changed N4 location to match reported bond distances
;
_journal_name_full               'Ceramics International'
_journal_page_first              137
_journal_page_last               142
_journal_paper_doi               10.1016/0272-8842(95)95885-L
_journal_volume                  21
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'N4 Si3'
_chemical_name_mineral           Nierite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.7650
_cell_length_b                   7.7650
_cell_length_c                   5.6275
_cell_formula_units_Z            4
_cell_volume                     293.852
_database_code_amcsd             0012185
_exptl_crystal_density_diffrn    3.171
_cod_original_formula_sum        'Si3 N4'
_cod_database_code               9013139
Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Sample: Beta phase
Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I.; Ceramics International 21 (1995) 137–142; doi:10.1016/0272-8842(95)95885-L

data_9013140
_publ_section_title
;Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice
 husk by Rietveld analysis Sample: Beta phase
;
_journal_name_full               'Ceramics International'
_journal_page_first              137
_journal_page_last               142
_journal_paper_doi               10.1016/0272-8842(95)95885-L
_journal_volume                  21
_journal_year                    1995
_chemical_formula_structural     Si3N4
_chemical_formula_sum            'N4 Si3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.6093
_cell_length_b                   7.6093
_cell_length_c                   2.9079
_cell_formula_units_Z            2
_cell_volume                     145.814
_database_code_amcsd             0012186
_exptl_crystal_density_diffrn    3.195
_cod_original_formula_sum        'Si3 N4'
_cod_database_code               9013140
_amcsd_formula_title             Si3N4
Etude structurale et densification d'un nouveau materiau piezoelectrique: Bi2TeO5 Locality: synthetic
Mercurio, D.; El Farissi, M.; Frit, B.; Goursat, P.; Materials Chemistry and Physics 9 (1983) 467–476; doi:10.1016/0254-0584(83)90073-1

data_9013141
_publ_section_title
;Etude structurale et densification d'un nouveau materiau piezoelectrique:
 Bi2TeO5 Locality: synthetic
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              467
_journal_page_last               476
_journal_paper_doi               10.1016/0254-0584(83)90073-1
_journal_volume                  9
_journal_year                    1983
_chemical_formula_sum            'Bi2 O5 Te'
_chemical_name_mineral           Smirnite
_space_group_IT_number           39
_space_group_name_Hall           'A 2 -2b'
_space_group_name_H-M_alt        'A e m 2'
_symmetry_space_group_name_Hall  'A 2 -2b'
_symmetry_space_group_name_H-M   'A e m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.602
_cell_length_b                   16.461
_cell_length_c                   5.523
_cell_formula_units_Z            8
_cell_volume                     1054.785
_exptl_crystal_density_diffrn    7.878
_cod_original_cell_volume        1054.786
_cod_original_sg_symbol_H-M      'A b m 2'
_cod_original_formula_sum        'Bi2 Te O5'
_cod_database_code               9013141
_database_code_amcsd 0014203
Neuberechnung der kristallstruktur von naturlichem und synthetischem monoklinen Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie
Rosenstingl, J.; Pertlik, F.; Mitteilungen der Osterreichischen Mineralogischen Gesellschaft 138 (1993) 9–16; doi:

data_9013142
_publ_section_title
;Neuberechnung der kristallstruktur von naturlichem und synthetischem
 monoklinen Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie
;
_journal_name_full
'Mitteilungen der Osterreichischen Mineralogischen Gesellschaft'
_journal_page_first              9
_journal_page_last               16
_journal_volume                  138
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag3 As S3'
_chemical_name_mineral           Xanthoconite
_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                 110.9
_cell_angle_gamma                90
_cell_length_a                   12.02
_cell_length_b                   6.262
_cell_length_c                   17.08
_cell_formula_units_Z            8
_cell_volume                     1201.012
_database_code_amcsd             0014651
_exptl_crystal_density_diffrn    5.472
_cod_database_code               9013142