#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/30/1533091.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_1533091
loop_
_publ_author_name
'Do Jung-Hwan'
'Kanatzidis, M.G.'
_publ_section_title
;
 The one-dimensional polyselenide compound Cs Ga Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              621
_journal_page_last               624
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cs Ga Se3'
_chemical_name_systematic        'Cs (Ga Se (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                 106.39
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.727
_cell_length_b                   13.014
_cell_length_c                   6.705
_cell_volume                     646.850
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            DoJung-Hwan_ZAACAB_2003_1102.cif
_cod_data_source_block           Cs1Ga1Se3
_cod_original_cell_volume        646.85
_cod_original_formula_sum        'Cs1 Ga1 Se3'
_cod_database_code               1533091
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-1 0.293 0.0762 0.8457 1 0.0
Cs1 Cs+1 0.7458 0.4187 0.212 1 0.0
Ga1 Ga+3 0.1821 0.272 0.142 1 0.0
Se2 Se-2 0.9973 0.6714 0.1901 1 0.0
Se3 Se-1 0.4491 0.1752 0.138 1 0.0
