data_9004849
_publ_section_title
;
 The crystal structure of skippenite, Bi2Se2Te, from the Kochkar deposit,
 southern Urals, Russian Federation
 Locality: Kochkar deposit, southern Urals, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              835
_journal_page_last               840
_journal_paper_doi               10.2113/gscanmin.42.3.835
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'Bi2 Se2 Te'
_chemical_name_mineral           Skippenite
_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                   4.183
_cell_length_b                   4.183
_cell_length_c                   29.137
_cell_volume                     441.521
_exptl_crystal_density_diffrn    7.937
_[local]_cod_cif_authors_sg_H-M  'R -3 m'
_cod_database_code               9004849
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.04070 0.04070 0.03560 0.02030 0.00000 0.00000
Se 0.02740 0.02740 0.02090 0.01370 0.00000 0.00000
Te 0.03720 0.03720 0.02520 0.01860 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.00000 0.00000 0.39806 0.03900
Se 0.00000 0.00000 0.21160 0.02520
Te 0.00000 0.00000 0.00000 0.03320
