#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004598.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_9004598
_chemical_name 'Iriginite'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 38
_journal_year 2000
_journal_page_first 847
_journal_page_last 851
_publ_section_title
;
 The crystal chemistry of uranyl molybdates. II. the crystal structure
 of iriginite
;
_chemical_formula_sum 'U Mo2 O12 H6'
_cell_length_a 6.705
_cell_length_b 12.731
_cell_length_c 11.524
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 983.704
_symmetry_space_group_name_H-M 'P b c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-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   0.70160   0.49398   0.25000   0.01570
Mo   0.16840   0.46925   0.09234   0.01840
O(1)   0.68800   0.35400   0.25000   0.03300
O(2)   0.70600   0.63300   0.25000   0.03400
O(3)   0.41500   0.49750   0.12660   0.02800
O(4)   0.14600   0.50980  -0.06440   0.01900
O(5)   0.05500   0.48000   0.25000   0.02800
Wat(6)   0.14000   0.65560   0.12120   0.02600
O(7)   0.16900   0.33690   0.08190   0.03200
Wat(8)   0.44800   0.75000   0.00000   0.05000