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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/9/00/46/9004672.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_9004672
loop_
_publ_author_name
'Krivovichev, S. V.'
'Burns, P. C.'
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in
 the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4]
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              201
_journal_page_last               209
_journal_paper_doi               10.2113/gscanmin.40.1.201
_journal_volume                  40
_journal_year                    2002
_chemical_formula_structural     Cs4[(UO2)3O(MoO4)2(MoO5)]
_chemical_formula_sum            'Cs4 Mo3 O20 U3'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                79.279
_cell_angle_beta                 81.269
_cell_angle_gamma                87.251
_cell_length_a                   7.510
_cell_length_b                   7.897
_cell_length_c                   9.774
_cell_formula_units_Z            1
_cell_volume                     562.827
_database_code_amcsd             0005765
_exptl_crystal_density_diffrn    5.469
_cod_original_formula_sum        'U3 Mo3 Cs4 O20'
_cod_database_code               9004672
_amcsd_formula_title             Cs4[(UO2)3O(MoO4)2(MoO5)]
loop_
_space_group_symop_operation_xyz
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(1) 0.01499 0.85419 0.80084 0.01260
U(2) -0.02434 0.01907 0.14717 0.01180
U(3) -0.01698 0.53349 0.15619 0.01110
Mo(1) -0.08320 0.19660 0.49920 0.01500
Mo(2) -0.14890 0.34830 0.88450 0.01660
Mo(3) 0.20000 0.72350 0.44070 0.01310
Cs(1) -0.52490 0.25280 0.27540 0.02510
Cs(2) -0.31630 0.71010 0.51480 0.03130
Cs(3) 0.48430 0.78370 0.04170 0.02690
Cs(4) 0.35480 0.27620 0.75440 0.04560
O(1) -0.25800 0.96600 0.19300 0.02100
O(2) 0.21900 0.48700 0.10900 0.02200
O(3) -0.04800 0.12500 0.90600 0.02200
O(4) -0.25300 0.57800 0.21600 0.02400
O(5) 0.25900 0.85400 0.79100 0.02200
O(6) 0.05400 0.73100 0.60100 0.02100
O(7) 0.07300 0.74000 0.29300 0.01500
O(8) 0.05000 0.10100 0.63000 0.01700
O(9) 0.33200 0.54000 0.46200 0.03000
O(10) -0.22100 0.86200 0.79300 0.02000
O(11) -0.10400 0.29100 0.11300 0.01800
O(12) -0.03100 0.54600 0.90200 0.02100
O(13) -0.04300 0.05000 0.38200 0.04000
O(14) 0.00600 0.80100 0.02900 0.01900
O(15) -0.13300 0.38500 0.70300 0.04400
O(16) 0.35000 0.89000 0.40500 0.02500
O(17) -0.00900 0.39400 0.39600 0.02800
O(18) 0.21200 0.07000 0.10500 0.02500
O(19) -0.37600 0.35600 0.93900 0.04100
O(20) -0.31000 0.20000 0.54900 0.04300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005765
