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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004757.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_9004757
loop_
_publ_author_name
'Burns, P. C.'
'Deely, K. M.'
'Hayden, L. A.'
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: SZIPPNH4II
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'N2 O10 S U2'
_chemical_name_mineral           Zippeite
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.2520
_cell_length_b                   8.7748
_cell_length_c                   17.1863
_cell_volume                     2149.292
_exptl_crystal_density_diffrn    4.303
_[local]_cod_chemical_formula_sum_orig 'U2 S O10 N2'
_cod_database_code               9004757
_amcsd_database_code             AMCSD#0005810
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+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) 0.23250 0.12680 0.41380 0.01400
S(1) 0.25000 0.38120 0.25000 0.02100
O(1) 0.24340 0.37560 0.45520 0.03700
O(2) 0.30860 0.46960 0.30030 0.03200
O(3) 0.18680 0.28140 0.29930 0.02000
O(4) 0.10700 0.12440 0.43130 0.02900
O(5) 0.35270 0.12860 0.38620 0.03500
NH4(1) 0.00000 0.13500 0.25040 0.09100
NH4(2) 0.00000 -0.16500 0.40300 0.11900