#------------------------------------------------------------------------------
#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004755.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_9004755
loop_
_publ_author_name
'Burns, P. C.'
'Deely, K. M.'
'Hayden, L. A.'
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample : Sodium-zippeite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H27 Na5 O52 S4 U8'
_chemical_name_mineral           Zippeite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.461
_cell_angle_gamma                90
_cell_length_a                   17.6425
_cell_length_b                   14.6272
_cell_length_c                   17.6922
_cell_volume                     4421.006
_exptl_crystal_density_diffrn    4.517
_[local]_cod_chemical_formula_sum_orig 'U8 S4 Na5 O52 H27'
_cod_database_code               9004755
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+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(1) 0.33840 0.23230 0.83770 0.01000
U(2) 0.26030 0.22500 0.00960 0.01100
U(3) 0.58450 0.25630 0.83470 0.01000
U(4) 0.49910 0.26490 0.00900 0.01200
U(5) 0.82570 0.21860 0.83260 0.01300
U(6) 0.75690 0.21680 0.00780 0.01100
U(7) 0.99650 0.24620 0.00910 0.01100
U(8) 0.09420 0.25160 0.83290 0.01100
S(1) 0.92130 0.24500 0.17100 0.00800
S(2) 0.66680 0.24870 0.67130 0.01500
S(3) 0.17140 0.24580 0.67280 0.01300
S(4) 0.42350 0.26040 0.17480 0.01800
Na(1) 0.17950 0.02280 0.67340 0.03600
Na(2) 0.91920 0.03010 0.19160 0.03200
Na(3) 0.67050 0.01450 0.67450 0.04800
Na(4) 0.23600 0.50040 0.99070 0.04600
Na(5) 0.56680 -0.02910 0.81330 0.04300
O(1) 0.71850 0.23770 0.87680 0.01300
O(2) 0.22140 0.24140 0.87790 0.01500
O(3) 0.59540 0.37470 0.86920 0.01800
O(4) 0.86860 0.23770 0.96430 0.02200
O(5) 0.88470 0.31170 0.21540 0.02000
O(6) 0.23090 0.18710 0.72020 0.01900
O(7) 0.20800 0.31490 0.62780 0.01800
O(8) 0.13370 0.30370 0.72130 0.01800
O(9) 0.86240 0.18480 0.12550 0.01800
O(10) 0.47290 0.24500 0.87990 0.01300
O(11) 0.36960 0.26230 0.96830 0.01700
O(12) 0.70850 0.31470 0.62800 0.01900
O(13) 0.33220 0.34960 0.81210 0.02100
O(14) 0.72160 0.18510 0.71400 0.01800
O(15) 0.09300 0.36900 0.86670 0.01900
O(16) 0.38180 0.32550 0.21600 0.01800
O(17) 0.49920 0.15240 0.04070 0.02000
O(18) 0.63580 0.30830 0.72520 0.02100
O(19) 0.47990 0.20560 0.23200 0.02200
O(20) 0.95390 0.30390 0.12010 0.01800
O(21) 0.98040 0.19080 0.22490 0.02000
O(22) 0.36610 0.20080 0.12880 0.02000
O(23) 0.11480 0.19290 0.61480 0.01900
O(24) 0.75460 0.09750 0.99660 0.01900
O(25) 0.45890 0.31690 0.12540 0.02700
O(26) 0.99560 0.36540 0.97670 0.02200
O(27) 0.50490 0.38700 0.99160 0.01500
O(28) 0.24280 0.34110 0.02650 0.01700
O(29) 0.60540 0.20190 0.61210 0.02400
O(30) 0.26830 0.10610 0.99930 0.02000
O(31) 0.00300 0.13250 0.04270 0.02700
O(32) 0.83520 0.33630 0.81480 0.02400
O(33) 0.34370 0.11290 0.85280 0.02300
O(34) 0.57230 0.14370 0.79540 0.02400
O(35) 0.82500 0.09890 0.84450 0.02100
O(36) 0.75280 0.33280 0.02710 0.03000
O(37) 0.08870 0.13920 0.79690 0.01600
O-H(1) 0.61620 0.20710 0.96810 0.01200
O-H(2) 0.11730 0.20520 0.96750 0.01000
O-H(3) 0.97110 0.20250 0.87420 0.01500
Wat(1) 0.78410 0.01220 0.18880 0.03100
Wat(2) 0.04140 0.00530 0.67020 0.02700
Wat(3) 0.69720 -0.02290 0.80790 0.03600
Wat(4) 0.53050 0.00630 0.66830 0.03100
Wat(5) 0.04800 0.00220 0.17880 0.05100
Wat(6) 0.14120 -0.01290 0.53550 0.03800
Wat(7) 0.12040 0.50200 0.03090 0.03400
Wat(8) 0.59900 0.01730 0.95230 0.04200
Wat(9) 0.30890 0.02270 0.65120 0.03300
Wat(10) 0.88850 -0.01890 0.04710 0.03300
Wat(11) 0.79430 0.00690 0.64570 0.04100
Wat(12) 0.43530 -0.02150 0.80360 0.04300