#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007966.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_9007966
_chemical_name 'Cu(ClO4)2*8H2O'
loop_
_publ_author_name
'Li X H'
'Xia F Y'
'Xiao H P'
'Hu M L'
_journal_name_full "Acta Crystallographica, Section E"
_journal_volume 60
_journal_year 2004
_journal_page_first i31
_journal_page_last i32
_publ_section_title
;
 Hexaaquacopper(II) diperchlorate dihydrate
;
_chemical_formula_sum 'Cu Cl2 O16 H16'
_cell_length_a 6.2908
_cell_length_b 12.4043
_cell_length_c 9.2181
_cell_angle_alpha 90
_cell_angle_beta 106.146
_cell_angle_gamma 90
_cell_volume 690.943
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Cu1   0.00000   0.00000   0.00000   0.01940
Cl1   0.74453   0.36091   0.90881   0.02600
O1   0.59950   0.26775   0.91390   0.03620
O2   0.63160   0.42973   0.77920   0.03000
O3   0.78040   0.42350   0.04750   0.04470
O4   0.95700   0.32161   0.88970   0.03390
O5   0.71630   0.06506   0.00410   0.02620
H5A   0.68680   0.06260   0.08490   0.03900
H5   0.68910   0.12710  -0.02560   0.03900
O6   0.96820  -0.10908   0.16460   0.03220
H6A   0.03900  -0.09790   0.25170   0.04800
H6   0.99320  -0.17020   0.14080   0.04800
O7   0.17440   0.11570   0.17370   0.03490
H7A   0.11370   0.12470   0.23970   0.05200
H7   0.30340   0.09990   0.21180   0.05200
O8   0.64140   0.65120   0.86700   0.04630
H8A   0.63190   0.58720   0.84160   0.07000
H8   0.59890   0.69310   0.79470   0.07000