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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004753.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_9004753
loop_
_publ_author_name
'Hughes, K.-A.'
'Burns, P. C.'
'Kolitsch, U.'
_publ_section_title
;
 Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH
 Note: synthetic sample
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              677
_journal_page_last               685
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Bi H O5 U'
_chemical_name_mineral           Uranosphaerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.948
_cell_angle_gamma                90
_cell_length_a                   7.540
_cell_length_b                   7.801
_cell_length_c                   7.674
_cell_volume                     450.784
_exptl_crystal_density_diffrn    7.780
_[local]_cod_chemical_formula_sum_orig 'U Bi O5 H'
_cod_database_code               9004753
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
U 0.02110 0.02340 0.02040 -0.00030 0.00520 -0.00020
Bi 0.02280 0.02450 0.02230 0.00040 0.00450 0.00040
O(1) 0.03400 0.03900 0.02500 0.00500 0.00100 0.00700
O(2) 0.02900 0.04000 0.02800 0.00400 0.00100 -0.00400
O(3) 0.02900 0.02000 0.03200 0.00100 0.01400 0.00500
O(4) 0.02600 0.03800 0.02800 -0.01300 0.00900 -0.01100
OH(5) 0.03100 0.02900 0.01800 -0.00200 0.00400 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U 0.15796 -0.00914 0.31531 0.02150
Bi 0.10974 0.60517 0.66556 0.02310
O(1) 0.18400 0.60300 0.05000 0.03200
O(2) -0.00800 0.88300 0.17900 0.03200
O(3) 0.07000 0.85000 0.56300 0.02700
O(4) -0.15000 0.50700 0.59000 0.03000
O-H(5) -0.11900 0.74100 0.84000 0.02600
_journal_paper_doi 10.2113/gscanmin.41.3.677