LMucko/crystallography-open-database huggingface dataset:
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He4b/d
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002787
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He4b/d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.982 Fe0.292 Mg0.726 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1071
_cell_length_b                   8.1071
_cell_length_c                   8.1071
_cell_volume                     532.840
_database_code_amcsd             0002876
_exptl_crystal_density_diffrn    3.775
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.982 Mg.726 Fe.292) O4'
_cod_database_code               9002787
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He5a/a
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002788
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He5a/a
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.981 Fe0.371 Mg0.648 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1134
_cell_length_b                   8.1134
_cell_length_c                   8.1134
_cell_volume                     534.083
_database_code_amcsd             0002877
_exptl_crystal_density_diffrn    3.828
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.981 Mg.648 Fe.371) O4'
_cod_database_code               9002788
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He6a/e
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002789
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He6a/e
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.962 Fe0.494 Mg0.544 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1221
_cell_length_b                   8.1221
_cell_length_c                   8.1221
_cell_volume                     535.803
_database_code_amcsd             0002878
_exptl_crystal_density_diffrn    3.911
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.962 Mg.544 Fe.494) O4'
_cod_database_code               9002789
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He7a/b Note: Coordinates of oxygen changed in order to match the bond lengths.
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002790
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He7a/b
 Note: Coordinates of oxygen changed in order to match the bond lengths.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.964 Fe0.617 Mg0.419 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1306
_cell_length_b                   8.1306
_cell_length_c                   8.1306
_cell_volume                     537.487
_database_code_amcsd             0002879
_exptl_crystal_density_diffrn    3.995
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.964 Mg.419 Fe.617) O4'
_cod_database_code               9002790
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He8a/h
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002791
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He8a/h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.938 Fe0.759 Mg0.303 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1406
_cell_length_b                   8.1406
_cell_length_c                   8.1406
_cell_volume                     539.472
_database_code_amcsd             0002880
_exptl_crystal_density_diffrn    4.089
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.938 Mg.303 Fe.759) O4'
_cod_database_code               9002791
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He9a/h
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002792
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He9a/h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.926 Fe0.897 Mg0.177 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1494
_cell_length_b                   8.1494
_cell_length_c                   8.1494
_cell_volume                     541.224
_database_code_amcsd             0002881
_exptl_crystal_density_diffrn    4.181
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.926 Mg.177 Fe.897) O4'
_cod_database_code               9002792
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) - hercynite series by single-crystal X-ray diffraction Sample: He100c/a
Andreozzi, G. B.; Lucchesi, S.; American Mineralogist 87 (2002) 1113–1120; doi:

data_9002793
_publ_section_title
;
 Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
 hercynite series by single-crystal X-ray diffraction
 Sample: He100c/a
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1113
_journal_page_last               1120
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.897 Fe1.103 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.1646
_cell_length_b                   8.1646
_cell_length_c                   8.1646
_cell_volume                     544.258
_database_code_amcsd             0002882
_exptl_crystal_density_diffrn    4.315
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.897 Fe1.103) O4'
_cod_database_code               9002793
The crystal structure of vicanite - (Ce), a borosilicate showing an unusual (Si3B3O18) polyanion
Ballirano, P.; Callegari, A.; Caucia, F.; Maras, A.; Mazzi, F.; Ungaretti, L.; American Mineralogist 87 (2002) 1139–1143; doi:

data_9002794
_publ_section_title
;
 The crystal structure of vicanite - (Ce), a borosilicate showing an unusual
 (Si3B3O18) polyanion
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1139
_journal_page_last               1143
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
;Al0.177 As1.19 B4 Ca8.01 Ce2.328 F8.749 Fe0.823 H La2.214 Na0.583 O38.461
 P0.227 Si6 Th2.448
;
_chemical_name_mineral           Vicanite-(Ce)
_space_group_IT_number           160
_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_formula_units_Z            3
_cell_length_a                   10.8112
_cell_length_b                   10.8112
_cell_length_c                   27.3296
_cell_volume                     2766.379
_database_code_amcsd             0002883
_exptl_crystal_density_diffrn    4.821
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
;Ce2.328 Ca8.01 La2.214 Th2.448 (Fe.823 Al.177) Si6 B4 As1.19 P.227 Na.583
 O38.461 F8.749 H
;
_cod_database_code               9002794
Isothermal compression of staurolite: A single-crystal study Sample: room pressure
Comodi, P.; Montagnoli, M.; Zanazzi, P. F.; Ballaran, T. B.; American Mineralogist 87 (2002) 1164–1171; doi:

data_9002795
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: room pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al4.87 Fe1.72 Li0.06 Mg0.21 Mn0.02 O12 Si1.88 Zn0.02'
_chemical_name_mineral           Staurolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.886
_cell_length_b                   16.659
_cell_length_c                   5.671
_cell_formula_units_Z            4
_cell_volume                     745.016
_database_code_amcsd             0002884
_exptl_crystal_density_diffrn    4.281
_cod_original_formula_sum
'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cod_database_code               9002795
Isothermal compression of staurolite: A single-crystal study Sample: P = 2.48 GPa
Comodi, P.; Montagnoli, M.; Zanazzi, P. F.; Ballaran, T. B.; American Mineralogist 87 (2002) 1164–1171; doi:

data_9002796
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: P = 2.48 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al4.87 Fe1.72 Li0.06 Mg0.21 Mn0.02 O12 Si1.88 Zn0.02'
_chemical_name_mineral           Staurolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.848
_cell_length_b                   16.580
_cell_length_c                   5.641
_cell_formula_units_Z            4
_cell_volume                     734.006
_database_code_amcsd             0002885
_diffrn_ambient_pressure         2.48e+06
_exptl_crystal_density_diffrn    4.345
_cod_original_formula_sum
'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cod_database_code               9002796
Isothermal compression of staurolite: A single-crystal study Sample: P = 4.15 GPa
Comodi, P.; Montagnoli, M.; Zanazzi, P. F.; Ballaran, T. B.; American Mineralogist 87 (2002) 1164–1171; doi:

data_9002797
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: P = 4.15 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al4.87 Fe1.72 Li0.06 Mg0.21 Mn0.02 O12 Si1.88 Zn0.02'
_chemical_name_mineral           Staurolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.820
_cell_length_b                   16.510
_cell_length_c                   5.626
_cell_formula_units_Z            4
_cell_volume                     726.363
_database_code_amcsd             0002886
_diffrn_ambient_pressure         4.15e+06
_exptl_crystal_density_diffrn    4.391
_cod_original_formula_sum
'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cod_database_code               9002797
Isothermal compression of staurolite: A single-crystal study Sample: P = 5.43 GPa
Comodi, P.; Montagnoli, M.; Zanazzi, P. F.; Ballaran, T. B.; American Mineralogist 87 (2002) 1164–1171; doi:

data_9002798
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: P = 5.43 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al4.87 Fe1.72 Li0.06 Mg0.21 Mn0.02 O12 Si1.88 Zn0.02'
_chemical_name_mineral           Staurolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.814
_cell_length_b                   16.480
_cell_length_c                   5.617
_cell_formula_units_Z            4
_cell_volume                     723.328
_database_code_amcsd             0002887
_diffrn_ambient_pressure         5.43e+06
_exptl_crystal_density_diffrn    4.409
_cod_original_formula_sum
'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cod_database_code               9002798
Isothermal compression of staurolite: A single-crystal study Sample: P = 6.84 GPa
Comodi, P.; Montagnoli, M.; Zanazzi, P. F.; Ballaran, T. B.; American Mineralogist 87 (2002) 1164–1171; doi:

data_9002799
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: P = 6.84 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al4.87 Fe1.72 Li0.06 Mg0.21 Mn0.02 O12 Si1.88 Zn0.02'
_chemical_name_mineral           Staurolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.792
_cell_length_b                   16.465
_cell_length_c                   5.599
_cell_formula_units_Z            4
_cell_volume                     718.325
_database_code_amcsd             0002888
_diffrn_ambient_pressure         6.84e+06
_exptl_crystal_density_diffrn    4.440
_cod_original_formula_sum
'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cod_database_code               9002799
Isothermal compression of staurolite: A single-crystal study Sample: P = 8.74 GPa
Comodi, P.; Montagnoli, M.; Zanazzi, P. F.; Ballaran, T. B.; American Mineralogist 87 (2002) 1164–1171; doi:

data_9002800
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: P = 8.74 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al4.87 Fe1.72 Li0.06 Mg0.21 Mn0.02 O12 Si1.88 Zn0.02'
_chemical_name_mineral           Staurolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.779
_cell_length_b                   16.416
_cell_length_c                   5.586
_cell_formula_units_Z            4
_cell_volume                     713.333
_database_code_amcsd             0002889
_diffrn_ambient_pressure         8.74e+06
_exptl_crystal_density_diffrn    4.471
_cod_original_formula_sum
'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cod_database_code               9002800
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: CaTiO3, x = 0.0
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002801
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: CaTiO3, x = 0.0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_mineral           Perovskite
_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                   5.4043
_cell_length_b                   5.4224
_cell_length_c                   7.6510
_cell_formula_units_Z            4
_cell_volume                     224.207
_database_code_amcsd             0002890
_exptl_crystal_density_diffrn    4.028
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               9002801
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: Ca.75Sr.25TiO3, x = 0.25
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002802
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: Ca.75Sr.25TiO3, x = 0.25
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.75 O3 Sr0.25 Ti'
_chemical_name_mineral           Perovskite
_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                   5.4440
_cell_length_b                   5.4591
_cell_length_c                   7.7213
_cell_formula_units_Z            4
_cell_volume                     229.472
_database_code_amcsd             0002891
_exptl_crystal_density_diffrn    4.279
_cod_original_formula_sum        '(Ca.75 Sr.25) Ti O3'
_cod_database_code               9002802
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: Ca.5Sr.5TiO3, x = 0.5
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002803
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: Ca.5Sr.5TiO3, x = 0.5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.5 O3 Sr0.5 Ti'
_chemical_name_mineral           Perovskite
_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                   5.4677
_cell_length_b                   5.4713
_cell_length_c                   7.7390
_cell_formula_units_Z            4
_cell_volume                     231.515
_database_code_amcsd             0002892
_exptl_crystal_density_diffrn    4.583
_cod_original_formula_sum        '(Ca.5 Sr.5) Ti O3'
_cod_database_code               9002803
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: Ca.4Sr.6TiO3, x = 0.6
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002804
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: Ca.4Sr.6TiO3, x = 0.6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.4 O3 Sr0.6 Ti'
_chemical_name_mineral           Tausonite
_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                   5.4784
_cell_length_b                   5.4791
_cell_length_c                   7.7517
_cell_formula_units_Z            4
_cell_volume                     232.680
_database_code_amcsd             0002893
_exptl_crystal_density_diffrn    4.695
_cod_original_formula_sum        '(Ca.4 Sr.6) Ti O3'
_cod_database_code               9002804