#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/35/8103525.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_8103525
loop_
_publ_author_name
'Ahsbahs, H.'
_publ_section_title
;
 Einkristalluntersuchungen an Hochdruckmodifikationen von K2 Zn (C N)4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              151
_journal_page_last               152
_journal_volume                  149
_journal_year                    1979
_chemical_formula_sum            'C4 K2 N4 Zn'
_chemical_name_systematic        'K2 (Zn (C N)4)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                32.4
_cell_angle_beta                 32.4
_cell_angle_gamma                32.4
_cell_formula_units_Z            4
_cell_length_a                   15.19
_cell_length_b                   15.19
_cell_length_c                   15.19
_cell_volume                     894.647
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Ahsbahs_ZEKRDZ_1979_288.cif
_cod_data_source_block           C4K2N4Zn1
_cod_original_cell_volume        894.6469
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'C4 K2 N4 Zn1'
_cod_database_code               8103525
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y+1/2,-x+1/2,-z+1/2
-z+1/2,-y+1/2,-x+1/2
-x+1/2,-z+1/2,-y+1/2
-x,-y,-z
-z,-x,-y
-y,-z,-x
y-1/2,x-1/2,z-1/2
z-1/2,y-1/2,x-1/2
x-1/2,z-1/2,y-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
C2 C+2 0.547 0.226 0.123 1 0.0
Zn1 Zn+2 0.185 0.185 0.185 1 0.0
N2 N-3 0.684 0.17 0.016 1 0.0
K2 K+1 0.75 0.333 0.167 1 0.0
C1 C+2 0.138 0.138 0.138 1 0.0
K1 K+1 0 0 0 1 0.0
N1 N-3 0.113 0.113 0.113 1 0.0
