#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/73/1537319.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_1537319
loop_
_publ_author_name
'Fuess, H.'
'Will, G.'
_publ_section_title
;
 Bestimmung der Kristallstruktur der Selenate M Se O4 (M = Mn, Co, Ni)
 durch Roentgen- und Neutronenbeugung
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              125
_journal_page_last               137
_journal_volume                  358
_journal_year                    1968
_chemical_formula_sum            'Ni O4 Se'
_chemical_name_systematic        'Ni (Se 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                   5.406
_cell_length_b                   8.095
_cell_length_c                   6.351
_cell_volume                     277.930
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fuess_ZAACAB_1968_909.cif
_cod_data_source_block           Ni1O4Se1
_cod_original_cell_volume        277.9297
_cod_original_formula_sum        'Ni1 O4 Se1'
_cod_database_code               1537319
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
O2 O-2 0.245 0.473 0.25 1 0.0
O1 O-2 0 0.243 0.022 1 0.0
Se1 Se+6 0 0.354 0.25 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
