#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$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
_chemical_name 'Zippeite'
loop_
_publ_author_name
'Burns P C'
'Deely K M'
'Hayden L A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 41
_journal_year 2003
_journal_page_first 687
_journal_page_last 706
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: SZIPPNH4I
;
_chemical_formula_sum 'U4 S2 N4 O21 H2'
_cell_length_a 8.6987
_cell_length_b 14.166
_cell_length_c 17.847
_cell_angle_alpha 90
_cell_angle_beta 104.117
_cell_angle_gamma 90
_cell_volume 2132.794
_symmetry_space_group_name_H-M 'C 1 2/m 1'
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_Uiso_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