#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012535.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9012535
loop_
_publ_author_name
'Lindahl, T.'
'Westman, S.'
_publ_section_title
;The structure of the rhombohedral gamma brass like phase in the
 copper-mercury system Locality: synthetic
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1181
_journal_page_last               1190
_journal_paper_doi               10.3891/acta.chem.scand.23-1181
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu7 Hg6'
_chemical_name_mineral           Belendorffite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                90.425
_cell_angle_beta                 90.425
_cell_angle_gamma                90.425
_cell_length_a                   9.4024
_cell_length_b                   9.4024
_cell_length_c                   9.4024
_cell_formula_units_Z            2
_cell_volume                     831.151
_database_code_amcsd             0011912
_exptl_crystal_density_diffrn    6.586
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9012535
loop_
_space_group_symop_operation_xyz
x,y,z
x,z,y
z,x,y
y,x,z
y,z,x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
CuIT1 0.09700 0.09700 0.09700 0.02533
CuIT3 -0.09700 -0.09700 0.09700 ?
CuOT1 -0.16300 -0.16300 -0.16300 ?
CuOT3 0.16300 0.16300 -0.16300 -0.02533
CuOH3 0.00500 0.00500 0.34500 -0.05066
CuCO3 0.29500 0.29500 0.06800 0.02533
HgOH3* -0.00300 -0.00300 -0.35200 0.01267
HgCO3* -0.30700 -0.30700 0.04000 0.01267
HgCO6 -0.06000 0.33700 -0.28400 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011912
