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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/2/10/67/2106730.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_2106730
loop_
_publ_author_name
'Takagi, S.'
'Lehnert, P.G.'
'Joesten, M.D.'
_publ_section_title
;
 Potassium barium hexanitroniccolate(II)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1970
_journal_page_last               1972
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ba K2 N6 Ni O12'
_chemical_name_systematic        'K2 Ba (Ni (N O2)6)'
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.78
_cell_length_b                   10.78
_cell_length_c                   10.78
_cell_volume                     1252.727
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Takagi_ACBCAR_1975_628.cif
_cod_data_source_block           Ba1K2N6Ni1O12
_cod_original_cell_volume        1252.726
_cod_original_formula_sum        'Ba1 K2 N6 Ni1 O12'
_cod_database_code               2106730
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,-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,-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,-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
-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
O2 O-2 0.25309 0.0995 0 0.2666 0.0
Ba1 Ba+2 0 0 0.5 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
O1 O-2 0 0.09848 0.25326 0.7334 0.0
K1 K+1 0.25 0.25 0.25 1 0.0
N1 N+3 0 0 0.1929 1 0.0
