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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104368.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_8104368
loop_
_publ_author_name
'Clegg, W.'
_publ_section_title
;
 Crystal structure of cesium tetroxalate dihydrate, Cs (H C2 O4) (H2 C2
 O4) (H2 O)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              211
_journal_page_last               217
_journal_volume                  169
_journal_year                    1984
_chemical_formula_sum            'C4 H7 Cs O10'
_chemical_name_systematic        'Cs (H C2 O4) (H2 C2 O4) (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.53
_cell_angle_beta                 99.49
_cell_angle_gamma                95.33
_cell_formula_units_Z            2
_cell_length_a                   6.279
_cell_length_b                   7.44
_cell_length_c                   10.776
_cell_volume                     492.088
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Clegg_ZEKRDZ_1984_1971.cif
_cod_data_source_block           C4H7Cs1O10
_cod_original_cell_volume        492.0884
_cod_original_formula_sum        'C4 H7 Cs1 O10'
_cod_database_code               8104368
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
H2 H+1 -0.431 -0.111 0.212 1 0.0
C4 C+4 0.4947 0.452 0.0606 1 0.0
H5 H+1 -0.2822 -0.0215 0.4044 1 0.0
O10 O-2 0.0642 -0.2631 0.1307 1 0.0
H4 H+1 -0.2615 -0.1816 0.3805 1 0.0
O7 O-2 0.3425 0.3411 0.0663 1 0.0
O9 O-2 -0.2394 -0.086 0.3526 1 0.0
O8 O-2 0.6613 0.5023 0.1484 1 0.0
C2 C+2 0.2506 0.6796 0.436 1 0.0
O5 O-2 -0.2364 0.0852 0.0691 1 0.0
H6 H+1 0.1543 -0.2549 0.0866 1 0.0
C1 C+2 0.2774 0.5686 0.5531 1 0.0
Cs1 Cs+1 0.1608 0.1564 0.2801 1 0.0
H7 H+1 -0.0462 -0.3162 0.092 1 0.0
O1 O-2 0.2529 0.402 0.534 1 0.0
H3 H+1 0.6364 0.4581 0.2107 1 0.0
O3 O-2 0.1915 0.5773 0.3293 1 0.0
O4 O-2 0.2822 0.8423 0.4455 1 0.0
H1 H+1 0.1555 0.6402 0.2739 1 0.0
O6 O-2 -0.4927 -0.0768 0.1483 1 0.0
O2 O-2 0.3222 0.6654 0.6572 1 0.0
C3 C+4 -0.4158 0.0065 0.0609 1 0.0
