#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009695.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_9009695
_chemical_name 'Vesignieite'
loop_
_publ_author_name
'Zhesheng M'
'Ruilin H'
'Xiaoling Z'
_journal_name_full "Acta Geologica Sinica"
_journal_volume 4
_journal_year 1991
_journal_page_first 145
_journal_page_last 151
_publ_section_title
;
 Redetermination of the crystal structure of vesignieite
 Locality: Chigou black shale system, Ankang county, Shaanxi Province, China
 Note: y- and z-coordinates of Ba altered
;
_chemical_formula_sum 'Cu3 Ba V2 O10 H2'
_cell_length_a 10.270
_cell_length_b 5.911
_cell_length_c 7.711
_cell_angle_alpha 90
_cell_angle_beta 116.42
_cell_angle_gamma 90
_cell_volume 419.213
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
Cu1   0.50000   0.50000   0.00000 ?
Cu2   0.25000   0.25000   0.00000 ?
Ba   0.00000   0.00000   0.50000 ?
V   0.08980   0.50000   0.26970 ?
O2   0.48220   0.24110   0.19020 ?
O3   0.22450   0.50000   0.19130 ?
O4   0.33030   0.00000   0.49410 ?
O1   0.20800   0.00000   0.12280 ?
H1   0.28900   0.00000   0.24700   0.02039