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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310652.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310652
loop_
_publ_author_name
'Poljak, R.J.'
_publ_section_title
;
 On the structure of anhydrous nickel sulfate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              306
_journal_page_last               306
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Ni O4 S'
_chemical_name_systematic        'Ni (S O4)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.155
_cell_length_b                   7.842
_cell_length_c                   6.338
_cell_volume                     256.217
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Poljak_ACCRA9_1958_260.cif
_cod_data_source_block           Ni1O4S1
_cod_original_cell_volume        256.2169
_cod_original_formula_sum        'Ni1 O4 S1'
_cod_database_code               2310652
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
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
Ni1 Ni+2 0 0 0 1 0.0
O1 O-2 0 0.25 0.02 1 0.0
S1 S+6 0 0.35 0.25 1 0.0
O2 O-2 0.25 0.472 0.25 1 0.0
