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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536568.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_1536568
loop_
_publ_author_name
'Kholodkovskaya, L.N.'
'Tskhelashvili, N.B.'
'Trunov, V.K.'
_publ_section_title
;
 Crystal structures 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 H Cs O4'
_chemical_name_systematic        'Cs H C2 O4'
_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                 93.739
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.378
_cell_length_b                   6.759
_cell_length_c                   6.677
_cell_volume                     467.361
_citation_journal_id_ASTM        JSTCAM
_cod_data_source_file            Kholodkovskaya_JSTCAM_1990_1082.cif
_cod_data_source_block           C2H1Cs1O4
_cod_original_cell_volume        467.3606
_cod_original_formula_sum        'C2 H1 Cs1 O4'
_cod_database_code               1536568
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
C2 C+3 0.511 0.416 0.081 1 0.0
O1 O-2 0.1674 0.479 0.013 1 0.0
C1 C+3 0.056 0.548 0.946 1 0.0
O4 O-2 0.3675 0.87 0.378 1 0.0
H1 H+1 0.25 0.093 0.54 1 0.0
Cs1 Cs+1 -0.2193 0.5302 0.5259 1 0.0
O3 O-2 0.4236 0.157 0.661 1 0.0
O2 O-2 0.9632 0.169 0.687 1 0.0
