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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/63/1536379.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_1536379
loop_
_publ_author_name
'Pakhomov, V.I.'
'Ivanova-Korfini, I.I.'
'Goryunov, A.V.'
'Lotfullin, R.Sh.'
'Boguslavskii, A.A.'
_publ_section_title
;
 Structure of CsHg2Cl5 crystals
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1408
_journal_page_last               1413
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Cl5 Cs Hg2'
_chemical_name_systematic        'Cs Hg2 Cl5'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.136
_cell_length_b                   6.126
_cell_length_c                   9.84
_cell_volume                     481.508
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1991_1153.cif
_cod_data_source_block           Cl5Cs1Hg2
_cod_original_cell_volume        481.5075
_cod_original_formula_sum        'Cl5 Cs1 Hg2'
_cod_database_code               1536379
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,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
Cl2 Cl-1 0.14 -0.021 0.522 0.5 0.0
Cl8 Cl-1 0.156 -0.031 0.601 0.5 0.0
Cl4 Cl-1 0.351 0.038 0.171 0.5 0.0
Cl5 Cl-1 0.508 -0.016 0.844 0.25 0.0
Cl6 Cl-1 -0.396 -0.009 0.571 0.75 0.0
Hg2 Hg+2 -0.116 -0.024 0.579 0.75 0.0
Cl1 Cl-1 -0.041 -0.023 -0.128 1 0.0
Cs2 Cs+1 0.639 -0.005 0.521 0.5 0.0
Cl7 Cl-1 -0.34 -0.034 0.265 0.5 0.0
Hg1 Hg+2 0.0537 0 0.1618 1 0.0
Cl3 Cl-1 -0.216 -0.027 0.218 1 0.0
Hg3 Hg+2 0.234 0.009 0.761 0.25 0.0
Cs1 Cs+1 0.466 0.006 0.928 0.5 0.0
