#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106599.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_2106599
loop_
_publ_author_name
'Takagi, S.'
'Joesten, M.D.'
_publ_section_title
;
 Potassium barium hexanitrocuprate(II) at 295 K
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              596
_journal_page_last               598
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ba Cu K2 N6 O12'
_chemical_name_systematic        'K2 Ba (Cu (N O2)6)'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.219
_cell_length_b                   10.728
_cell_length_c                   10.685
_cell_volume                     1286.019
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Takagi_ACBCAR_1975_1914.cif
_cod_data_source_block           Ba1Cu1K2N6O12
_cod_original_formula_sum        'Ba1 Cu1 K2 N6 O12'
_cod_database_code               2106599
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
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
-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
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
-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
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
-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
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
N1 N+3 0 0 0.1908 1 0.0
N2 N+3 0.206 0 0 1 0.0
O1 O-2 0.094 0 0.2505 1 0.0
O2 O-2 0.2643 0.0977 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Ba1 Ba+2 0 0 0.5 1 0.0
K1 K+1 0.25 0.25 0.25 1 0.0
O3 O-2 0 0.2505 0.0982 1 0.0
N3 N+3 0 0.1909 0 1 0.0
