#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/52/1535201.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_1535201
loop_
_publ_author_name
'Berkei, M.'
'Willner, H.'
'Bernhardt, E.'
'Mehring, M.'
'Schuermann, M.'
_publ_section_title
;
 Darstellung, spektroskopische Charakterisierung und Kristallstrukturen
 von Quecksilber(II)-bis(tetracyanoborat) Hg (B (C N)4)2 und
 Diquecksilber(I)-bis(tetracyanoborat) Hg2 (B (C N)4)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1734
_journal_page_last               1740
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'C8 B2 Hg N8'
_chemical_name_systematic        'Hg (B (C N)4)2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.8175
_cell_length_b                   7.8175
_cell_length_c                   6.0168
_cell_volume                     318.443
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Berkei_ZAACAB_2002_511.cif
_cod_data_source_block           C8B2Hg1N8
_cod_original_cell_volume        318.4432
_cod_original_formula_sum        'C8 B2 Hg1 N8'
_cod_database_code               1535201
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
N1 N-3 -0.1436 0.1436 0.2236 1 0.0
B1 B+3 -0.3333 0.3333 0.372 1 0.0
C2 C+2 -0.3333 0.3333 0.642 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
C1 C+2 -0.2219 0.2219 0.2827 1 0.0
N2 N-3 -0.3333 0.3333 0.826 1 0.0
