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#$Date: 2016-01-01 13:53:55 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172149 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223674.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_7223674
loop_
_publ_author_name
'Sheldrick, W.S.'
'Braunbeck, H.G.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Cs4 Sn2 Se6
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              851
_journal_page_last               852
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'Cs4 Se6 Sn2'
_chemical_name_systematic        'Cs4 (Sn2 Se6)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 135.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.634
_cell_length_b                   7.472
_cell_length_c                   12.821
_cell_volume                     988.705
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Sheldrick_ZNBSEN_1989_1968.cif
_cod_data_source_block           Cs4Se6Sn2
_cod_original_cell_volume        988.7054
_cod_database_code               7223674
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Se2 Se-2 -0.0758 0 0.7265 1 0.0
Se3 Se-2 0 0.2547 0.5 1 0.0
Cs2 Cs+1 0.2186 0 0.1341 1 0.0
Sn1 Sn+4 0.0671 0 0.6877 1 0.0
Cs1 Cs+1 0.6264 0 0.318 1 0.0
Se1 Se-2 0.3019 0 0.914 1 0.0
