#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004913.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_9004913
_chemical_name 'Heinrichite'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn T M'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 43
_journal_year 2005
_journal_page_first 721
_journal_page_last 733
_publ_section_title
;
 Structures of strontium- and barium-dominant compounds that contain the autunit
;
_chemical_formula_sum 'U2 As2 Ba O22 H20'
_cell_length_a 7.1548
_cell_length_b 7.1340
_cell_length_c 21.290
_cell_angle_alpha 90
_cell_angle_beta 104.171
_cell_angle_gamma 90
_cell_volume 1053.623
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,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
U   0.28610   0.74880   0.04400   0.01300
As   0.24620   0.24860   0.00110   0.01400
Ba   0.50000  -0.04170   0.25000   0.02400
O1   0.35200   0.75280   0.13080   0.01900
O2   0.32000   0.43230   0.05020   0.02200
O3   0.24360   0.06350   0.04970   0.02100
O4   0.39660   0.21120  -0.04690   0.01900
O5   0.02840   0.28570  -0.04770   0.02100
O6   0.22340   0.74730  -0.04180   0.02400
Wat7   0.14060   0.10120   0.17470   0.04300
Wat8   0.75290  -0.00490   0.16230   0.04300
Wat9   0.52520   0.30460   0.17720   0.04800
Wat10   0.28060   0.63240   0.26150   0.04300
Wat11   0.01890   0.50710   0.33730   0.05100