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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/09/1540957.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_1540957
loop_
_publ_author_name
'Sheldrick, W.S.'
'Haeusler, H.J.'
_publ_section_title
;
 Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und
 Kristallstrukturen von M As Se2, M = K, Rb, Cs
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              139
_journal_page_last               148
_journal_volume                  561
_journal_year                    1988
_chemical_formula_sum            'As Cs Se2'
_chemical_name_systematic        'Cs (As Se2)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.755
_cell_length_b                   9.689
_cell_length_c                   16.645
_cell_volume                     1089.402
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sheldrick_ZAACAB_1988_112.cif
_cod_data_source_block           As1Cs1Se2
_cod_original_formula_sum        'As1 Cs1 Se2'
_cod_database_code               1540957
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
Cs1 Cs+1 0.3597 0.1983 0.423 1 0.0
Se2 Se-2 0.4855 -0.1289 0.2926 1 0.0
Se1 Se-2 0.3611 0.0277 0.0823 1 0.0
As1 As+3 0.2634 0.0307 0.2149 1 0.0
