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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/49/9004908.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_9004908
loop_
_publ_author_name
'Krivovichev, S. V.'
'Burns, P. C.'
_publ_section_title
;
 Crystal chemistry of the uranyl molybdates. XI. Crystal structures of
 Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              713
_journal_page_last               720
_journal_paper_doi               10.2113/gscanmin.43.2.713
_journal_volume                  43
_journal_year                    2005
_chemical_formula_structural     Cs2[(UO2)(MoO4)2]
_chemical_formula_sum            'Cs2 Mo2 O10 U'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.762
_cell_length_b                   14.081
_cell_length_c                   14.323
_cell_formula_units_Z            8
_cell_volume                     2372.186
_database_code_amcsd             0006004
_exptl_crystal_density_diffrn    4.792
_cod_original_formula_sum        'U Cs2 Mo2 O10'
_cod_database_code               9004908
_amcsd_formula_title             Cs2[(UO2)(MoO4)2]
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U 0.17552 0.16084 0.46766 0.01593
Cs1 0.00956 0.33525 0.68449 0.03220
Cs2 0.24206 0.42296 0.29032 0.03330
Mo1 0.34902 0.39475 0.54950 0.01720
Mo2 -0.04971 0.36110 0.40357 0.02090
O1 0.21820 0.15880 0.34830 0.02340
O2 0.13220 0.16250 0.58680 0.02480
O3 0.49250 0.38300 0.58520 0.02460
O4 -0.14390 0.39740 0.49380 0.02470
O5 0.33830 0.49280 0.47170 0.02150
O6 0.30450 0.29380 0.48600 0.02480
O7 0.26490 0.41570 0.64430 0.03240
O8 0.07420 0.30260 0.44810 0.03230
O9 -0.00650 0.45810 0.33800 0.03900
O10 -0.11900 0.28610 0.32790 0.03380
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006004
