#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014212.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_9014212
loop_
_publ_author_name
'Baturin, S. V.'
_publ_section_title
;
 Crystal-structure of weeksite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1132
_journal_page_last               1136
_journal_volume                  282
_journal_year                    1985
_chemical_formula_sum            'H3 K0.62 Na0.38 O10 Si2.5 U'
_chemical_name_mineral           Weeksite
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.092
_cell_length_b                   17.888
_cell_length_c                   7.113
_cell_volume                     902.367
_database_code_amcsd             0018510
_exptl_crystal_density_diffrn    3.712
_[local]_cod_chemical_formula_sum_orig 'U Si2.5 O10 K.62 Na.38 H3'
_cod_database_code               9014212
loop_
_space_group_symop_operation_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
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
U 0.00000 0.19820 0.00000 1.00000 0.01456
Si1 0.00000 0.37440 0.00000 1.00000 0.01393
Si2 0.00000 0.00000 0.11700 0.50000 0.01267
Si3 0.09500 0.50000 0.28200 0.50000 0.01393
O1 0.00000 0.19900 0.24800 1.00000 0.01393
O2 0.17400 0.31600 0.00000 1.00000 0.01646
O3 0.00000 0.42700 0.19000 1.00000 0.03040
O4 0.00000 0.07100 0.00000 1.00000 0.13932
O5 0.00000 0.50000 0.50000 1.00000 0.03673
O6 0.17900 0.00000 0.26800 0.50000 0.03546
Wat1 0.00000 0.00000 0.50000 1.00000 0.08106
Wat2 0.17900 0.32500 0.50000 0.50000 0.04813
K 0.17900 0.32500 0.50000 0.31000 0.04813
Na 0.17900 0.32500 0.50000 0.19000 0.04813