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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536386.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_1536386
loop_
_publ_author_name
'Pakhomov, V.I.'
'Goryunov, A.V.'
_publ_section_title
;
 On the nature of complex formation of some inorganic halogenides
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1501
_journal_page_last               1508
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Cl3 Cs Hg'
_chemical_name_systematic        'Cs Hg Cl3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.52
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.287
_cell_length_b                   15.222
_cell_length_c                   9.339
_cell_volume                     1244.344
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1993_1379.cif
_cod_data_source_block           Cl3Cs1Hg1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl3 Cs1 Hg1'
_cod_database_code               1536386
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
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
Cl4 Cl-1 -0.401 0.111 0.373 1 0.0
Cs1 Cs+1 0 0 0.5 1 0.0
Cs3 Cs+1 0 0.5 0.5 1 0.0
Hg3 Hg+2 0.744 0.2564 0.249 1 0.0
Cl2 Cl-1 0.119 -0.112 0.884 1 0.0
Cl1 Cl-1 -0.29 -0.011 0.741 1 0.0
Cs2 Cs+1 0.746 0.242 0.741 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
Hg2 Hg+2 0.5 0 0.5 1 0.0
Cl3 Cl-1 0.353 0.11 0.647 1 0.0
Cl5 Cl-1 -0.143 -0.137 0.146 1 0.0
Cl6 Cl-1 -0.489 -0.251 0.037 1 0.0
