#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004756.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_9004756
loop_
_publ_author_name
'Burns P C'
'Deely K M'
'Hayden L A'
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: SZIPPNH4I
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'U4 S2 N4 O21 H2'
_chemical_name_mineral           Zippeite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.117
_cell_angle_gamma                90
_cell_length_a                   8.6987
_cell_length_b                   14.166
_cell_length_c                   17.847
_cell_volume                     2132.794
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-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) 0.66630 0.23190 0.33470 0.01100
U(2) 0.33390 0.26810 0.16540 0.01100
S(1) 0.00000 0.25490 0.00000 0.02000
S(2) 0.00000 0.23610 0.50000 0.00700
NH4(1) 0.72500 0.50000 0.50510 0.02900
NH4(2) 0.30400 0.00000 0.01180 0.02600
NH4(3) 0.54900 0.00000 0.15980 0.03600
NH4(4) 0.44900 0.50000 0.32650 0.02200
O(1) -0.11390 0.17550 0.44610 0.01200
O(2) -0.12340 0.31770 -0.04810 0.02400
O(3) 0.40200 0.24330 0.29470 0.01800
O(4) -0.06900 0.19290 0.04880 0.02100
O(5) -0.07710 0.29730 0.54740 0.01500
O(6) 0.60000 0.23950 0.20530 0.00800
O(7) 0.65600 0.10500 0.31970 0.02100
O(8) 0.35300 0.39500 0.17860 0.01900
O(9) 0.30900 0.14610 0.13810 0.02100
O(10) 0.68300 0.35490 0.35810 0.02100
Wat(11) 0.93700 0.50000 0.40110 0.03300