#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001301.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_9001301
loop_
_publ_author_name
'Angel, R. J.'
'Cressey, G.'
'Criddle, A. J.'
_publ_section_title
;
 Edgarbaileyite, Hg6Si2O7: The crystal structure of the first mercury silicate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1192
_journal_page_last               1196
_journal_volume                  75
_journal_year                    1990
_chemical_formula_sum            'Hg6 O7 Si2'
_chemical_name_mineral           Edgarbaileyite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.73
_cell_angle_gamma                90
_cell_length_a                   11.755
_cell_length_b                   7.678
_cell_length_c                   5.991
_cell_volume                     502.293
_exptl_crystal_density_diffrn    9.069
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_1330'
_[local]_cod_chemical_formula_sum_orig 'Hg6 Si2 O7'
_cod_database_code               9001301
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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 0.11400 0.00000 0.04900 0.01976
Hg2 0.11550 0.24230 0.57890 0.01798
Si 0.64910 0.00000 0.10500 0.01520
O1 0.30300 0.00000 0.11300 0.02280
O2 0.31100 0.16800 0.72800 0.02153
O3 0.50000 0.00000 0.00000 0.00127
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Hg1 0.00906 0.03046 0.02008 0.00000 0.00585 0.00000
Hg2 0.00967 0.02150 0.02118 0.00085 0.00339 0.00216