#------------------------------------------------------------------------------
#$Date: 2022-09-25 21:10:12 +0200 (dom 25 de sep de 2022) $
#$Revision: 278158 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/04/1010499.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_1010499
loop_
_publ_author_name
'Hassel, O.'
_publ_section_title
;
Roentgenographische Untersuchung des tetragonal kristallisierenden
Quecksilberzyanids.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              218
_journal_page_last               223
_journal_volume                  64
_journal_year                    1926
_chemical_formula_structural     'Hg (C N)2'
_chemical_formula_sum            'C2 Hg N2'
_chemical_name_systematic        'Mercury cyanide'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      122
_symmetry_space_group_name_H-M   'I -4 2 d S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.67
_cell_length_b                   9.67
_cell_length_c                   8.92
_cell_volume                     834.1
_cod_original_formula_sum        'Hg C2 N2'
_cod_database_code               1010499
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-y,x,-z
y,-x,-z
1/2-x,y,1/4-z
1/2+x,-y,1/4-z
1/2+y,x,1/4+z
1/2-y,-x,1/4+z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2-z
-x,1/2+y,3/4-z
x,1/2-y,3/4-z
y,1/2+x,3/4+z
-y,1/2-x,3/4+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Hg1 Hg2+ 8 d 0.25 0.21 0.125 1. 0 d
C1 C2+ 16 ? . . . 1 0 dum
N1 N3- 16 ? . . . 1 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Hg2+ 2.000
C2+ 2.000
N3- -3.000
