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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009357.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_9009357
_chemical_name 'Ziesite'
loop_
_publ_author_name
'Hughes J M'
'Brown M A'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1989
_journal_year 1989
_journal_page_first 41
_journal_page_last 47
_publ_section_title
;
 The crystal structure of ziesite, beta-Cu2V2O7, a thortveitite-type
 structure with a non-linear X-O-X inter-tetrahedral bond
 Locality: synthetic
;
_chemical_formula_sum 'Cu2 V2 O7'
_cell_length_a 7.6890
_cell_length_b 8.0289
_cell_length_c 10.1065
_cell_angle_alpha 90
_cell_angle_beta 110.252
_cell_angle_gamma 90
_cell_volume 585.346
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Cu   0.30976   0.07364   0.51407   0.01092
V   0.22457  -0.22252   0.28724   0.00899
O1   0.00000   0.13670   0.75000   0.02267
O2   0.26470  -0.09700   0.63300   0.02191
O3   0.37680  -0.08880   0.39650   0.01241
O4   0.23520   0.75170   0.87080   0.01406