#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/37/4343782.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_4343782
loop_
_publ_author_name
'Joesten, M.D.'
'Takagi, S.'
'Lenhert, P.G.'
_publ_section_title
;
 Structure of potassium lead hexanitrocuprate(II) at 276 K. An apparent
 compressed tetragonal Jahn-Teller distortion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2680
_journal_page_last               2685
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'Cu K2 N6 O12 Pb'
_chemical_name_systematic        'Pb K2 (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                   10.741
_cell_length_b                   10.734
_cell_length_c                   10.538
_cell_volume                     1214.967
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Joesten_INOCAJ_1977_743.cif
_cod_data_source_block           Cu1K2N6O12Pb1
_cod_original_formula_sum        'Cu1 K2 N6 O12 Pb1'
_cod_database_code               4343782
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
K1 K+1 0.25 0.25 0.25 1 0.0
O1 O-2 0 0.0985 0.2565 1 0.0
O3 O-2 0.262 0 0.0998 1 0.0
N1 N+3 0 0 0.1953 1 0.0
N3 N+3 0.2017 0 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
N2 N+3 0 0.2006 0 1 0.0
O2 O-2 0.0988 0.2622 0 1 0.0
Pb1 Pb+2 0 0 0.5 1 0.0
