#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539120.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_1539120
loop_
_publ_author_name
'Spiess, M.'
'Gruehn, R.'
_publ_section_title
;
 H-Zn S O4, das erste Sulfat mit einer kubischen H-Cristobalit-Struktur
;
_journal_name_full               Naturwissenschaften
_journal_page_first              594
_journal_page_last               594
_journal_volume                  65
_journal_year                    1978
_chemical_formula_sum            'O4 S Zn'
_chemical_name_systematic        'Zn (S O4)'
_space_group_IT_number           196
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.176
_cell_length_b                   7.176
_cell_length_c                   7.176
_cell_volume                     369.528
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Spiess_NATWAY_1978_109.cif
_cod_data_source_block           O4S1Zn1
_cod_original_formula_sum        'O4 S1 Zn1'
_cod_database_code               1539120
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
z,x+1/2,y+1/2
-z,-x+1/2,y+1/2
z,-x+1/2,-y+1/2
-z,x+1/2,-y+1/2
y,z+1/2,x+1/2
y,-z+1/2,-x+1/2
-y,z+1/2,-x+1/2
-y,-z+1/2,x+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
z+1/2,x,y+1/2
-z+1/2,-x,y+1/2
z+1/2,-x,-y+1/2
-z+1/2,x,-y+1/2
y+1/2,z,x+1/2
y+1/2,-z,-x+1/2
-y+1/2,z,-x+1/2
-y+1/2,-z,x+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
z+1/2,x+1/2,y
-z+1/2,-x+1/2,y
z+1/2,-x+1/2,-y
-z+1/2,x+1/2,-y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-y+1/2,z+1/2,-x
-y+1/2,-z+1/2,x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S+6 0 0 0 1 0.0
O1 O-2 0.88 0.88 0.88 1 0.0
Zn1 Zn+2 0.75 0.75 0.75 1 0.0
