#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004521.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_9004521
loop_
_publ_author_name
'Vasil'ev, V. I.'
'Pervukhina, N. V.'
'Romanenko, G. V.'
'Magarill, S. A.'
'Borisov, S. V.'
_publ_section_title
;
 New data on the mercury oxide-chloride mineral poyarkovite: The second
 find, and crystal-structure determination
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              119
_journal_page_last               126
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'Cl Hg3 O'
_chemical_name_mineral           Poyarkovite
_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                 110.82
_cell_angle_gamma                90
_cell_length_a                   19.009
_cell_length_b                   9.018
_cell_length_c                   16.848
_cell_formula_units_Z            24
_cell_volume                     2699.547
_database_code_amcsd             0005596
_exptl_crystal_density_diffrn    9.643
_cod_original_formula_sum        'Hg3 Cl O'
_cod_database_code               9004521
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg1 0.66370 0.13010 0.86570 0.01600
Hg2 0.66350 -0.14760 0.84390 0.02200
Hg3 0.83490 0.11990 0.97220 0.01400
Hg4 0.82750 0.12540 0.81980 0.01700
Hg5 0.90380 0.46200 0.96400 0.01900
Hg6 0.76670 0.51620 0.89130 0.03300
Hg7 0.01520 0.13810 0.01160 0.02500
Hg8 0.93200 0.01440 0.20210 0.03200
Hg9 0.01110 0.37400 0.17920 0.01500
Cl1 0.85010 0.81270 0.01850 0.03600
Cl2 0.96930 0.30660 0.84720 0.01300
Cl3 0.66730 0.28630 0.71330 0.02300
O1 0.00980 0.36250 0.05500 0.01300
O2 0.66640 0.33330 0.90640 0.03000
O3 0.66770 0.60600 0.81050 0.01800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005596
