#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004591.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004591
loop_
_publ_author_name
'Li, Y.'
'Burns, P. C.'
_publ_section_title
;
 Investigations of crystal-chemical variability in lead uranyl oxide
 hydrates. II. Fourmarierite
 Sample: Synthetic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              737
_journal_page_last               749
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'H10 O19 Pb U4'
_chemical_name_mineral           Fourmarierite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'B -2 -2b'
_symmetry_space_group_name_H-M   'B b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.938
_cell_length_b                   16.638
_cell_length_c                   14.672
_cell_volume                     3402.443
_exptl_crystal_density_diffrn    5.745
_[local]_cod_chemical_formula_sum_orig 'U4 Pb O19 H10'
_cod_database_code               9004591
_amcsd_database_code             AMCSD#0005643
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,y,1/2+z
-x,1/2+y,z
1/2-x,1/2+y,1/2+z
x,y,-z
1/2+x,y,1/2-z
-x,1/2+y,-z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U(1) 0.02290 0.11460 0.22920 0.02400
U(2) 0.00990 0.38720 0.23180 0.02500
U(3) 0.27320 0.02640 0.21870 0.02200
U(4) 0.24210 0.25280 0.26700 0.02200
Pb(1) 0.18110 0.35180 0.00000 0.07300
Pb(2) 0.33560 0.57270 0.00000 0.03400
O(1) -0.00340 0.14230 0.11060 0.04200
O(2) 0.05000 0.09570 0.34180 0.04100
O(3) 0.05750 0.37540 0.11600 0.03000
O(4) -0.04300 0.39900 0.34040 0.04100
O(5) 0.29980 0.03600 0.10150 0.03600
O(6) 0.23600 0.01880 0.34040 0.02000
O(7) 0.24900 0.29640 0.15860 0.03900
O(8) 0.24100 0.21610 0.37910 0.03300
O(9) 0.10850 -0.00950 0.18130 0.01200
O(10) -0.07790 0.01750 0.23490 0.01400
O(11) -0.13270 0.16390 0.27520 0.02500
O-H(12) 0.06290 0.25460 0.27120 0.02400
O(13) 0.18200 0.14430 0.20750 0.02100
O(14) -0.11540 0.31710 0.17800 0.01500
O-H(15) 0.18320 0.38830 0.30580 0.03300
Wat(16) 0.14280 0.53970 0.00000 0.08600
Wat(17) 0.33120 0.41900 0.00000 0.05500
Wat(18) 0.16670 0.20000 0.00000 0.09100
Wat(19) 0.53520 0.72200 0.00000 0.10200
Wat(20) 0.13670 -0.05010 0.00000 0.05400
Wat(21) 0.48010 0.01070 0.00000 0.02900
Wat(22) 0.09120 0.76560 0.00000 0.04300
Wat(23) 0.36420 0.88240 0.00000 0.04600