#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/46/9004673.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_9004673
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     Cs6[(UO2)(MoO4)4]
_chemical_formula_sum            'Cs6 Mo4 O18 U'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.713
_cell_angle_beta                 95.281
_cell_angle_gamma                106.182
_cell_length_a                   11.613
_cell_length_b                   12.545
_cell_length_c                   14.466
_cell_formula_units_Z            3
_cell_volume                     1947.728
_database_code_amcsd             0005766
_exptl_crystal_density_diffrn    4.366
_cod_original_cell_volume        1947.729
_cod_original_formula_sum        'U Mo4 Cs6 O18'
_cod_database_code               9004673
_amcsd_formula_title             Cs6[(UO2)(MoO4)4]
loop_
_space_group_symop_operation_xyz
x,y,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(1) 0.49766 0.75078 0.49960 0.01910
U(2) 0.00000 0.00000 0.00000 0.01990
Mo(1) 0.80260 0.19340 -0.02500 0.02160
Mo(2) 0.80050 0.68840 -0.02650 0.02220
Mo(3) 0.59750 0.21770 0.24680 0.02550
Mo(4) 0.16050 0.66230 0.42130 0.02720
Mo(5) 0.58030 0.71580 0.24400 0.02720
Mo(6) 0.16920 0.17660 0.43940 0.02620
Cs(1) 0.62409 0.91593 0.05655 0.02700
Cs(2) 0.37111 0.58264 -0.06254 0.02720
Cs(3) 0.62299 0.07383 -0.29694 0.03460
Cs(4) 0.62220 0.58160 -0.29980 0.03470
Cs(5) 0.96117 0.26020 0.25343 0.03590
Cs(6) 0.96309 0.83270 0.25071 0.03980
Cs(7) 0.22546 0.96973 0.58646 0.03490
Cs(8) 0.21370 0.47257 0.59664 0.03840
Cs(9) 0.06960 0.55393 0.13668 0.04000
O(1) 0.06190 0.04540 0.12910 0.02000
O(2) 0.87020 0.10410 0.03380 0.03200
O(3) 0.44180 0.87270 0.52000 0.03800
O(4) 0.30720 0.13300 0.42650 0.03800
O(5) 0.85780 0.61330 0.04410 0.04100
O(6) 0.30460 0.63240 0.42390 0.04000
O(7) 0.86380 0.84230 0.02330 0.02800
O(8) 0.55230 0.62970 0.47990 0.03700
O(9) 0.86200 0.33810 0.03890 0.03100
O(10) 0.83950 0.65040 -0.13990 0.03800
O(11) 0.54270 0.78110 0.35940 0.03600
O(12) 0.17840 0.30040 0.40060 0.03200
O(13) 0.54980 0.27830 0.35690 0.03800
O(14) 0.61800 0.59400 0.24500 0.06000
O(15) 0.64900 0.14510 -0.02980 0.04100
O(16) 0.64750 0.64800 -0.03200 0.04800
O(17) 0.83940 0.18830 -0.13980 0.03800
O(18) 0.14610 0.20300 0.55970 0.04300
O(19) 0.04060 0.07000 0.36900 0.05300
O(20) 0.70200 0.81500 0.21840 0.04800
O(21) 0.16730 0.77800 0.37350 0.04500
O(22) 0.48000 0.19200 0.15570 0.06500
O(23) 0.45500 0.68600 0.15400 0.07900
O(24) 0.72500 0.32220 0.22850 0.04000
O(25) 0.63900 0.09500 0.24920 0.06200
O(26) 0.12400 0.69050 0.53560 0.04100
O(27) 0.04700 0.54420 0.34200 0.05400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005766
