#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007444.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_9007444
loop_
_publ_author_name
'Kokkoros, P. A.'
'Rentzeperis, P. J.'
_publ_section_title
;
 The crystal structure of the anhydrous sulphates of copper and zinc
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              361
_journal_page_last               364
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'O4 S Zn'
_chemical_name_mineral           Zinkosite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.58
_cell_length_b                   6.73
_cell_length_c                   4.77
_cell_volume                     275.436
_exptl_crystal_density_diffrn    3.893
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_8748'
_[local]_cod_chemical_formula_sum_orig 'Zn S O4'
_cod_database_code               9007444
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn 0.00000 0.00000 0.00000
S 0.18600 0.25000 0.45800
O1 0.13000 0.25000 0.75000
O2 0.36700 0.25000 0.45800
O3 0.13000 0.07200 0.31900