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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/1/54/08/1540814.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_1540814
loop_
_publ_author_name
'Ulicka, L.'
_publ_section_title
;
 Crystal structure of Cd (V O3)2 (H2 O)4 and its comparison with the
 structure of Ca (V O3)2 (H2 O)4 and alpha-Cd (V O3)2
;
_journal_name_full               'Chemical Papers'
_journal_page_first              11
_journal_page_last               19
_journal_volume                  42
_journal_year                    1988
_chemical_formula_sum            'Cd H8 O10 V2'
_chemical_name_systematic        'Cd (V O3)2 (H2 O)4'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.51
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.319
_cell_length_b                   10.344
_cell_length_c                   7.041
_cell_volume                     902.490
_citation_journal_id_ASTM        CHPAEG
_cod_data_source_file            Ulicka_CHPAEG_1988_488.cif
_cod_data_source_block           H8Cd1O10V2
_cod_original_cell_volume        902.4902
_cod_original_formula_sum        'H8 Cd1 O10 V2'
_cod_database_code               1540814
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-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
O5 O-2 0.4488 0.5836 0.03 1 0.0
Cd1 Cd+2 0 0.2503 0.25 1 0.0
O1 O-2 0.0867 0.3338 0.0498 1 0.0
O7 O-2 0.1392 0.123 0.4657 1 0.0
O2 O-2 0.0398 0.4318 0.4448 1 0.0
V2 V+5 0.3513 0.5255 0.4365 1 0.0
O6 O-2 0.3959 0.6725 0.4184 1 0.0
O10 O-2 0.3465 0.1246 0.1294 1 0.0
V1 V+5 0.1447 0.4741 0.0522 1 0.0
O3 O-2 0.3102 0.4538 0.1726 1 0.0
O8 O-2 0.3545 0.8525 0.0147 1 0.0
O4 O-2 0.1908 0.5142 0.3369 1 0.0
O9 O-2 0.1316 0.8743 0.35 1 0.0
