data_9013424
_publ_section_title
;
 The crystal structure of a new modification of Bi2Se3-II
 Locality: Guanajuato, Mexico
;
_journal_name_full               Kristallografiya
_journal_page_first              173
_journal_page_last               174
_journal_volume                  18
_journal_year                    1973
_chemical_formula_sum            'Bi2 Se3'
_chemical_name_mineral           Guanajuatite
_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                   11.83
_cell_length_b                   4.09
_cell_length_c                   11.62
_cell_volume                     562.230
_exptl_crystal_density_diffrn    7.736
_cod_database_code               9013424
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi1 0.01200 0.25000 0.32800
Bi2 0.34300 0.25000 0.53400
Se1 0.06700 0.25000 0.87600
Se2 0.87000 0.25000 0.55600
Se3 0.21300 0.25000 0.19300
