#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012786.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_9012786
loop_
_publ_author_name
'Ryan, R. R.'
'Rosenzweig, A.'
_publ_section_title
;
 Sklodowskite, MgO*2UO3*2SiO2*7H2O
 Locality: Naica, Chihuahua, Mexico
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              611
_journal_page_last               615
_journal_volume                  6
_journal_year                    1977
_chemical_formula_sum            'H10 Mg O18 Si2 U2'
_chemical_name_mineral           Sklodowskite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.9
_cell_angle_gamma                90
_cell_length_a                   17.3820
_cell_length_b                   7.047
_cell_length_c                   6.610
_cell_volume                     778.688
_exptl_crystal_density_diffrn    3.645
_[local]_cod_chemical_formula_sum_orig 'Mg U2 Si2 O18 H10'
_cod_database_code               9012786
_amcsd_database_code             AMCSD#0013703
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_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
Mg 0.01400 0.02100 0.01900 0.00000 0.00300 0.00000
U 0.01440 0.00800 0.00840 0.00000 0.00370 0.00000
Si 0.01670 0.00880 0.00810 0.00000 0.00490 0.00000
O1 0.01900 0.01900 0.02600 0.00000 0.00800 0.00000
O2 0.01700 0.02800 0.01700 0.00000 0.00200 0.00000
O3 0.01800 0.01800 0.00900 0.00000 0.00400 0.00000
O4 0.01700 0.03200 0.01600 0.00000 0.00600 0.00000
O5 0.03100 0.00800 0.00800 0.00200 0.00700 0.00000
Wat 0.03300 0.14200 0.15500 0.00800 0.01300 0.12600
OH3 0.03100 0.05900 0.04800 0.00000 0.01200 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.50000 0.50000 0.50000
U 0.25763 0.00000 0.13838
Si 0.28360 0.50000 0.35780
O1 0.36390 0.00000 0.16190
O2 0.15090 0.00000 0.10650
O3 0.22630 0.50000 0.51190
O4 0.37790 0.50000 0.50160
O5 0.26730 0.32430 0.19170
Wat 0.51960 0.30290 0.73010
O-H3 0.57600 0.00000 0.22750