#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/4000569.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_4000569
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_formula_moiety                 'Cd1 Li1 O4 V1'
_chemical_formula_sum                    'Cd1 Li1 O4 V1'
_chemical_formula_weight                 234.3
_symmetry_cell_setting                   orthorhombic
_symmetry_space_group_name_H-M           'C m c m'
_symmetry_space_group_name_Hall          '-C 2c 2'
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
 1   x,y,z
 2   x,y,1/2-z
 3   -x,y,z
 4   -x,y,1/2-z
 5   -x,-y,-z
 6   -x,-y,1/2+z
 7   x,-y,-z
 8   x,-y,1/2+z
 9   1/2+x,1/2+y,z
 10  1/2+x,1/2+y,1/2-z
 11  1/2-x,1/2+y,z
 12  1/2-x,1/2+y,1/2-z
 13  1/2-x,1/2-y,-z
 14  1/2-x,1/2-y,1/2+z
 15  1/2+x,1/2-y,-z
 16  1/2+x,1/2-y,1/2+z
_cell_length_a                           5.9112(4)
_cell_length_b                           8.9750(5)
_cell_length_c                           6.5135(5)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             345.56(4)
_cell_formula_units_Z                    4
_cell_measurement_temperature            293
_exptl_crystal_density_diffrn            4.5019(5)
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Cd1 Cd 0 0 0.5 Uani 0.00889(6) 4 0.965(2) d . . .
  Li1 Li 0 0 0.5 Uani 0.00889(6) 4 0.035(2) d . . .
  V V 0 0.64026(6) 0.75 Uani 0.00783(11) 4 1 d . . .
  O1 O 0.2315(3) 0.48048(17) 0.25 Uani 0.0112(3) 8 1 d . . .
  O2 O 0 0.2551(2) 0.4640(3) Uani 0.0146(4) 8 1 d . . .
  Li2 Li 0 0.343(3) 0.75 Uani 0.030(4) 4 0.965(2) d . . .
  Cd2 Cd 0 0.313(4) 0.75 Uani 0.030(4) 4 0.035(2) d . . .