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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/58/1535833.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_1535833
loop_
_publ_author_name
'Irran, E.'
'Juergens, B.'
'Schnick, W.'
_publ_section_title
;
 Trimerization of alkali dicyanamides M (N (C N)2) and formation of
 tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure
 determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2),
 and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5372
_journal_page_last               5381
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'C2 K N3'
_chemical_name_systematic        'K (N (C N)2)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.36518
_cell_length_b                   6.46898
_cell_length_c                   7.21266
_cell_volume                     390.307
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Irran_CEUJED_2001_257.cif
_cod_data_source_block           C2K1N3
_cod_original_cell_volume        390.3072
_cod_original_formula_sum        'C2 K1 N3'
_cod_database_code               1535833
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-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
C2 C+2 0.3188 0.2692 0.25 1 0.0
K1 K+1 0.68249 0.25 0 1 0.0
N3 N-1 0.4193 0.3871 0.25 1 0.0
N1 N-1 -0.0694 0.1467 0.25 1 0.0
N2 N-1 0.2187 0.1079 0.25 1 0.0
C1 C+2 0.0661 0.1365 0.25 1 0.0
