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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/1/52/91/1529148.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_1529148
loop_
_publ_author_name
'Mueller, B.G.'
'Klein, W.'
'Jansen, M.'
_publ_section_title
;
 Hg4 O F6, das erste Quecksilberoxidfluorid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1123
_journal_page_last               1125
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'F6 Hg4 O'
_chemical_name_systematic        'Hg4 O F6'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.7457
_cell_length_b                   7.7457
_cell_length_c                   6.0075
_cell_volume                     312.137
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_2004_107.cif
_cod_data_source_block           F6Hg4O1
_cod_original_cell_volume        312.1374
_cod_original_formula_sum        'F6 Hg4 O1'
_cod_database_code               1529148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-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
F1 F-1 0.268 0.134 0.403 1 0.0
F2 F-1 0.549 0.098 0.72 1 0.0
O1 O-2 0.6667 0.3333 0.12 1 0.0
Hg2 Hg+2 0.3614 0.1807 0 1 0.0
Hg1 Hg+2 0.6667 0.3333 0.4819 1 0.0
