#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/42/4344236.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_4344236
loop_
_publ_author_name
'Liu, X.-H.'
'Mueller, P.'
'Kroll, P.'
'Dronskowski, R.'
_publ_section_title
;
 Synthesis, structure determination and quantum-chemical characterization
 of an alternate Hg N C N polymorph
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4259
_journal_page_last               4265
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C Hg N2'
_chemical_name_systematic        'Hg (N C N)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.212
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8521
_cell_length_b                   6.9797
_cell_length_c                   5.5516
_cell_volume                     244.016
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Liu_INOCAJ_2002_495.cif
_cod_data_source_block           C1Hg1N2
_cod_original_cell_volume        244.0164
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'C1 Hg1 N2'
_cod_database_code               4344236
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-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
C1 C+4 0.2313 0.1197 0.4342 1 0.0
N1 N-3 0.218 0.1267 0.1846 1 0.0
N2 N-3 0.2996 0.122 0.6536 1 0.0
Hg1 Hg+2 0.7578 0.1338 0.9949 1 0.0
