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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/1/53/63/1536311.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_1536311
loop_
_publ_author_name
'Juergens, B.'
'Schnick, W.'
'Irran, E.'
'Hoeppe, H.A.'
_publ_section_title
;
 Phase transition of a dicyanamide with rutile-like structure: syntheses
 and crystal structures of alpha- and beta- (Cd (N (C N)2)2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              219
_journal_page_last               223
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C4 Cd N6'
_chemical_name_systematic        'Cd (N (C N)2)2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.2462
_cell_length_b                   7.5292
_cell_length_c                   7.683
_cell_volume                     361.323
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Juergens_ZAACAB_2004_1153.cif
_cod_data_source_block           C4Cd1N6
_cod_original_formula_sum        'C4 Cd1 N6'
_cod_database_code               1536311
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-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
C1 C -0.2324 0.1384 0.3622 1 0.0
Cd1 Cd+2 0 0 0 1 0.0
N2 N+1 -0.3105 0.2003 0.5 1 0.0
N1 N-1 -0.2134 0.1097 0.2124 1 0.0
