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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/1/53/48/1534824.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_1534824
loop_
_publ_author_name
'Shevel'kov, A.V.'
'Dikarev, E.V.'
'Popovkin, B.A.'
_publ_section_title
;
 Synthesis and crystal structure of mercury pnictide halides Hg2 As Cl2
 and Hg19 As10 Br18, containing binuclear anions.
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1496
_journal_page_last               1501
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'As Cl2 Hg2'
_chemical_name_systematic        'Hg2 As Cl2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.61
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.914
_cell_length_b                   8.21
_cell_length_c                   8.896
_cell_volume                     1007.275
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Shevelkov_ZNOKAQ_1995_1522.cif
_cod_data_source_block           As1Cl2Hg2
_cod_original_formula_sum        'As1 Cl2 Hg2'
_cod_database_code               1534824
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-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
Cl1 Cl-1 0.6094 0 0.4869 1 0.0
Hg1 Hg+2 0.21833 0 0.4825 1 0.0
As1 As-2 0.0419 0 0.3906 1 0.0
Cl3 Cl-1 0.7648 0.2215 0.2586 1 0.0
Cl2 Cl-1 0.1104 0 0.0136 1 0.0
Hg3 Hg+2 0.98505 0.2477 0.2451 1 0.0
Hg2 Hg+2 0.72202 0 0.0341 1 0.0
As2 As-2 0.4469 0 0.095 1 0.0
