#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/02/1540205.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1540205
loop_
_publ_author_name
'Kanishcheva, A.S.'
'Mikhailov, Yu.N.'
'Moshchalkova, N.A.'
'Lazarev, V.B.'
_publ_section_title
;
 The crystal structure of Cs Sb Se2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              872
_journal_page_last               875
_journal_volume                  252
_journal_year                    1980
_chemical_formula_sum            'Cs Sb Se2'
_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                 105.47
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.697
_cell_length_b                   10.161
_cell_length_c                   7.422
_cell_volume                     1140.900
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kanishcheva_DANKAS_1980_250.cif
_cod_data_source_block           Cs1Sb1Se2
_cod_original_cell_volume        1140.9
_cod_original_formula_sum        'Cs1 Sb1 Se2'
_cod_database_code               1540205
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Se1 Se-2 0.8477 0.2574 0.2893 1 0.0
Se3 Se-2 0.5939 0.4229 0.9023 1 0.0
Se2 Se-2 0.3315 0.2482 0.8012 1 0.0
Se4 Se-2 0.0854 0.4373 0.3746 1 0.0
Sb1 Sb+3 0.9557 0.1689 0.093 1 0.0
Cs1 Cs+1 0.8362 0.561 0.0419 1 0.0
Sb2 Sb+3 0.4498 0.1643 0.5966 1 0.0
Cs2 Cs+1 0.3268 0.5705 0.546 1 0.0
