#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/44/8104465.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_8104465
loop_
_publ_author_name
'Blase, W.'
'Somer, M.'
'Cordier, G.'
_publ_section_title
;
 Crystal structure of hexacesium triarsenidoindate , Cs6 In As3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              117
_journal_page_last               118
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'As3 Cs6 In'
_chemical_name_systematic        'Cs6 (In As3)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.27
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.469
_cell_length_b                   6.356
_cell_length_c                   12.208
_cell_volume                     796.668
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blase_ZEKRDZ_1991_1436.cif
_cod_data_source_block           As3Cs6In1
_cod_original_formula_sum        'As3 Cs6 In1'
_cod_database_code               8104465
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Cs1 Cs+1 0.09235 0.25 0.36309 1 0.0
Cs2 Cs+1 0.11555 0.25 0.67385 1 0.0
Cs4 Cs+1 0.44397 0.25 0.54392 1 0.0
Cs5 Cs+1 0.4626 0.25 0.92663 1 0.0
As3 As-3 0.81435 0.25 0.12083 1 0.0
As2 As-3 0.79002 0.25 0.48694 1 0.0
In1 In+3 0.67192 0.25 0.27744 1 0.0
As1 As-3 0.42011 0.25 0.22878 1 0.0
Cs6 Cs+1 0.7527 0.25 0.78135 1 0.0
Cs3 Cs+1 0.13005 0.25 0.01638 1 0.0
