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#$Date: 2015-10-10 04:52:40 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164324 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536571.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_1536571
loop_
_publ_author_name
'Kholodkovskaya, L.N.'
'Tskhelashvili, N.B.'
'Trunov, V.K.'
_publ_section_title
;
 Crystal structure of cesium hydridooxalate and cesium oxalate dihydrate
;
_journal_name_full
;
Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)
;
_journal_page_first              154
_journal_page_last               157
_journal_volume                  31
_journal_year                    1990
_chemical_formula_sum            'C2 H4 Cs2 O6'
_chemical_name_systematic        'Cs2 C2 O4 (H2 O)2'
_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                 112.87
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.2094
_cell_length_b                   11.052
_cell_length_c                   6.195
_cell_volume                     391.719
_citation_journal_id_ASTM        JSTCAM
_cod_data_source_file            Kholodkovskaya_JSTCAM_1990_1083.cif
_cod_data_source_block           C2H4Cs2O6
_cod_original_cell_volume        391.7192
_cod_database_code               1536571
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
O3 O-2 0.3035 0.156 0.038 1 0.0
O1 O-2 0.7246 0.396 0.133 1 0.0
C1 C+3 0.528 0.44 0.076 1 0.0
O2 O-2 0.3653 0.402 0.13 1 0.0
H1 H+1 0.3 0.116 0.89 1 0.0
H2 H+1 0.39 0.21 0.1 1 0.0
Cs1 Cs+1 0.8813 0.1145 0.202 1 0.0
