#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004670.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_9004670
loop_
_publ_author_name
'Krivovichev, S. V.'
'Finch, R. J.'
'Burns, P. C.'
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. V. Topologically distinct
 uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2]
 and K2[(UO2)(MoO4)2](H2O)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              193
_journal_page_last               200
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum            'Mo2 Na2 O10 U'
_chemical_name_mineral           Na2[(UO2)(MoO4)2]
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.2298
_cell_length_b                   11.3240
_cell_length_c                   12.0134
_cell_volume                     983.540
_exptl_crystal_density_diffrn    4.294
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_5438'
_[local]_cod_chemical_formula_sum_orig 'U Mo2 Na2 O10'
_cod_database_code               9004670
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-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 0.82238 0.76038 0.23117 0.01770
Mo(1) 0.33550 0.71338 0.09927 0.02140
Mo(2) 0.58020 0.66610 0.48552 0.02060
Na(1) 0.58220 0.94830 0.57020 0.03400
Na(2) 0.40980 0.93950 0.30550 0.04400
O(1) 0.79000 0.60350 0.24880 0.02600
O(2) 0.85300 0.91560 0.21530 0.03000
O(3) 0.39500 0.56520 0.09500 0.04400
O(4) 0.51560 0.73720 0.61350 0.02600
O(5) 0.63180 0.78300 0.38810 0.02500
O(6) 0.31100 0.76660 -0.03750 0.04700
O(7) 0.77500 0.58050 0.50970 0.03300
O(8) 0.40200 0.58060 0.43370 0.04300
O(9) 0.51000 0.79490 0.17270 0.03100
O(10) 0.12560 0.73100 0.17190 0.05400
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 0.01250 0.02850 0.01210 0.00090 0.00000 0.00080
Mo(1) 0.01060 0.03960 0.01410 0.00190 -0.00030 -0.00270
Mo(2) 0.01590 0.02790 0.01790 -0.00160 0.00190 0.00000
Na(1) 0.03200 0.03100 0.04100 -0.00500 -0.00900 -0.00300
Na(2) 0.04900 0.04500 0.03800 0.02200 -0.00300 -0.01100
O(1) 0.02900 0.02200 0.02700 0.00400 -0.00400 -0.00200
O(2) 0.02600 0.03000 0.03400 -0.00400 0.00200 0.00300
O(3) 0.02700 0.06300 0.04200 0.00400 -0.00100 -0.00300
O(4) 0.02100 0.04200 0.01600 -0.00500 0.00700 0.00000
O(5) 0.01400 0.03800 0.02300 0.00600 0.00900 0.00300
O(6) 0.03300 0.09100 0.01700 0.00700 0.00600 -0.00200
O(7) 0.02600 0.04100 0.03200 0.00900 0.00200 0.00400
O(8) 0.03600 0.04100 0.05200 -0.01300 -0.00300 -0.00100
O(9) 0.01300 0.05200 0.02900 0.00400 -0.01000 0.00500
O(10) 0.01500 0.10100 0.04700 0.01400 0.01100 -0.01500