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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527167.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_1527167
loop_
_publ_author_name
'Boettcher, P.'
_publ_section_title
;
 Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2
 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               21
_journal_volume                  461
_journal_year                    1980
_chemical_formula_sum            'Cs2 Se3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.015
_cell_length_b                   11.406
_cell_length_c                   8.282
_cell_volume                     757.133
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boettcher_ZAACAB_1980_905.cif
_cod_data_source_block           Cs2Se3
_cod_original_cell_volume        757.1329
_cod_database_code               1527167
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
Cs2 Cs+1 0 0.5735 0.6744 1 0.0
Cs1 Cs+1 0 0.0987 0.9548 1 0.0
Se1 Se 0 0.7895 0 1 0.0
Se2 Se-1 0.2307 0.8337 0.8349 1 0.0