#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533902.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_1533902
loop_
_publ_author_name
'Omura, T.'
'Moriyoshi, C.'
'Ikeda, S.'
'Itoh, K.'
'Fukazawa, H.'
_publ_section_title
;
 Structural change of Cu (H C O O)2 * 4(H2 O) associated with the
 antiferroelectric phase transition
;
_journal_name_full               Ferroelectrics
_journal_page_first              375
_journal_page_last               380
_journal_volume                  270
_journal_year                    2002
_chemical_formula_sum            'C2 H10 Cu O8'
_chemical_name_systematic        'Cu (H C O O)2 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.01
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.158
_cell_length_b                   8.128
_cell_length_c                   6.286
_cell_volume                     409.142
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Omura_FEROA8_2002_343.cif
_cod_data_source_block           C2H10Cu1O8
_cod_original_cell_volume        409.1416
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'C2 H10 Cu1 O8'
_cod_database_code               1533902
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-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
O2 O-2 0.1135 0.2135 0.09 1 0.0
H6 H+1 0.04 0.426 0.494 0.5 0.0
C1 C+4 0.2382 0.2701 0.0247 1 0.0
H7 H+1 0.025 0.273 0.535 0.5 0.0
H3 H+1 0.471 0.319 0.611 0.5 0.0
H1 H-1 0.213 0.706 0.071 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
H5 H+1 0.089 0.332 0.353 1 0.0
O3 O-2 0.4295 0.4011 0.6385 1 0.0
H4 H+1 0.467 0.476 0.572 0.5 0.0
H2 H+1 0.336 0.396 0.607 1 0.0
O4 O-2 0.089 0.3593 0.4874 1 0.0
O1 O-2 0.2029 -0.0911 -0.0794 1 0.0
