#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004196.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_9004196
loop_
_publ_author_name
'Grice, J. D.'
_publ_section_title
;
 The crystal structure of magnolite, Hg2TeO3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              133
_journal_page_last               136
_journal_volume                  27
_journal_year                    1989
_chemical_compound_source        'Mount Lion Mine, Colorado, USA'
_chemical_formula_sum            'Hg2 O3 Te'
_chemical_name_mineral           Magnolite
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P 2 -2b'
_symmetry_space_group_name_H-M   'P b m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.958
_cell_length_b                   10.576
_cell_length_c                   3.749
_cell_formula_units_Z            2
_cell_volume                     236.231
_database_code_amcsd             0005221
_exptl_crystal_density_diffrn    8.109
_cod_original_formula_sum        'Hg2 Te O3'
_cod_database_code               9004196
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,z
x,1/2-y,z
-x,-y,z
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
Hg 0.01490 0.02100 0.03510 0.00590 0.00780 -0.00440
Te 0.00960 0.01590 0.01820 0.00000 0.00300 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg 0.19070 0.55280 0.00000 ?
Te 0.44520 0.25000 0.49910 ?
O1 0.50100 0.13000 -0.12200 0.02900
O2 0.73400 0.25000 0.43800 0.03000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005221
