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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004673.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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_volume                  40
_journal_year                    2002
_chemical_formula_sum            'Cs6 Mo4 O18 U'
_[local]_cod_chemical_formula_sum_orig 'U Mo4 Cs6 O18'
_chemical_name_mineral           Cs6[(UO2)(MoO4)4]
_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_volume                     1947.729
loop_
_symmetry_equiv_pos_as_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_
_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(1) 0.01990 0.02130 0.01750 0.00820 0.00440 0.00500
U(2) 0.01950 0.01800 0.02330 0.00680 0.00440 0.00590
Mo(1) 0.01700 0.02370 0.02580 0.00810 0.00430 0.00750
Mo(2) 0.01790 0.02020 0.02850 0.00520 0.00320 0.00730
Mo(3) 0.03070 0.02860 0.01680 0.00930 0.00430 0.00440
Mo(4) 0.02150 0.03510 0.02440 0.00710 0.00350 0.00860
Mo(5) 0.03450 0.03040 0.01760 0.01200 0.00560 0.00500
Mo(6) 0.02260 0.02990 0.02720 0.00730 0.00450 0.01030
Cs(1) 0.02180 0.03360 0.02530 0.00860 0.00320 0.00710
Cs(2) 0.02380 0.03030 0.02790 0.00880 0.00590 0.00730
Cs(3) 0.02940 0.03480 0.03600 0.00760 0.00160 0.00580
Cs(4) 0.02920 0.03740 0.03750 0.00960 0.00380 0.01100
Cs(5) 0.03060 0.04860 0.02960 0.01370 0.00410 0.01080
Cs(6) 0.03560 0.05080 0.03170 0.01850 0.00590 0.00130
Cs(7) 0.03700 0.03330 0.03770 0.01430 0.01010 0.00960
Cs(8) 0.04320 0.03190 0.03760 0.01050 0.00670 0.00490
Cs(9) 0.05520 0.03200 0.03500 0.01810 0.00160 0.00970
O(1) 0.02500 0.02900 0.00700 0.01000 -0.00800 0.00500
O(2) 0.03600 0.03600 0.03400 0.01900 0.00500 0.02000
O(3) 0.03300 0.04800 0.03700 0.02300 0.00900 0.00600
O(4) 0.04000 0.04800 0.02200 0.01800 -0.00200 0.00000
O(5) 0.03600 0.02900 0.06000 0.01600 0.00100 0.01200
O(6) 0.04100 0.04200 0.03900 0.01400 0.01900 0.00900
O(7) 0.01800 0.02800 0.03000 -0.00200 0.00300 0.00500
O(8) 0.04600 0.02800 0.03600 0.01400 0.00900 0.00000
O(9) 0.03800 0.01900 0.03000 0.00400 0.00400 0.00100
O(10) 0.03400 0.04300 0.03000 0.01300 0.01100 -0.00800
O(11) 0.03900 0.04400 0.02900 0.01400 0.01800 0.01100
O(12) 0.02500 0.03400 0.03500 0.00400 -0.00200 0.01200
O(13) 0.04400 0.04300 0.03500 0.01600 0.01700 0.01900
O(14) 0.09000 0.05200 0.05000 0.04400 0.01200 0.01000
O(15) 0.04300 0.04600 0.03900 0.01800 0.01300 0.01200
O(16) 0.03000 0.03700 0.07000 0.00400 0.01700 0.01000
O(17) 0.03800 0.04600 0.03300 0.01600 0.01500 0.01100
O(18) 0.03600 0.06400 0.03400 0.01600 0.01000 0.02000
O(19) 0.02100 0.05300 0.07000 0.00000 -0.00400 0.01600
O(20) 0.04000 0.06100 0.06000 0.02500 0.02100 0.02800
O(21) 0.03000 0.06400 0.05200 0.00800 0.00600 0.04300
O(22) 0.06300 0.11000 0.02100 0.03300 -0.00600 0.00500
O(23) 0.10000 0.10000 0.02400 0.04000 -0.02400 -0.00700
O(24) 0.04100 0.03500 0.04100 0.00500 0.01300 0.00700
O(25) 0.14000 0.04000 0.03700 0.05700 0.04200 0.01200
O(26) 0.05700 0.03200 0.03700 0.02100 0.00900 0.00600
O(27) 0.03400 0.04300 0.07000 0.00300 0.00800 -0.01100
_cod_database_code 9004673