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#$Date: 2015-09-12 17:35:00 +0300 (Sat, 12 Sep 2015) $
#$Revision: 155968 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/67/2106727.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106727
loop_
_publ_author_name
'Sikirica, M.'
'Grdenic, D.'
_publ_section_title
;
 The crystal structure of mercury(I) trifluoroacetate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              144
_journal_page_last               146
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'C4 F6 Hg2 O4'
_chemical_name_systematic        'Hg2 (C F3 C O2)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.886
_cell_length_b                   9.337
_cell_length_c                   8.23
_cell_volume                     943.841
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Sikirica_ACBCAR_1974_1384.cif
_cod_data_source_block           C4F6Hg2O4
_cod_database_code               2106727
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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
F1 F-1 0.414 -0.001 0.302 1 0.0
Hg1 Hg+1 0.0978 0.1566 0.3069 1 0.0
C2 C+3 0.349 0.119 0.218 1 0.0
O1 O-2 0.251 0.184 0.342 1 0.0
F3 F-1 0.331 0.136 0.04 1 0.0
C1 C+3 0.261 0.111 0.224 1 0.0
O2 O-2 0.174 0.031 0.096 1 0.0
F2 F-1 0.423 0.222 0.331 1 0.0
