#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/37/1533720.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_1533720
loop_
_publ_author_name
'Hay, W.J.'
'Nelmes, R.J.'
_publ_section_title
;
 Structural studies of Cs D2 As O4 in the paraelectric phase and the
 ferroelectric phase
;
_journal_name_full               Ferroelectrics
_journal_page_first              599
_journal_page_last               600
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum            'As Cs0.5 D2 O4'
_chemical_name_systematic        'Cs D2 (As O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.99
_cell_length_b                   7.99
_cell_length_c                   7.88
_cell_volume                     503.060
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Hay_FEROA8_1976_320.cif
_cod_data_source_block           As1Cs0.5D2O4
_cod_original_cell_volume        503.06
_cod_original_formula_sum        'As1 Cs0.5 D2 O4'
_cod_database_code               1533720
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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 0 0.5006 0.5 0.0
O1 O-2 0.1457 0.0916 0.1236 1 0.0
D1 D+1 0.1383 0.2195 0.1173 0.5 0.0
As1 As+5 0 0 0 1 0.0
