#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011432.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_9011432
loop_
_publ_author_name
'Gostojic, M.'
_publ_section_title
;
 Die kristallstruktur von synthetischem ellisit, Tl3AsS3
 Note: anisob's corrected to match reported Biso's
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               254
_journal_volume                  151
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As S3 Tl3'
_chemical_name_mineral           Ellisite
_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                105.87
_cell_angle_beta                 105.87
_cell_angle_gamma                105.87
_cell_length_a                   5.9967
_cell_length_b                   5.9967
_cell_length_c                   5.9967
_cell_formula_units_Z            1
_cell_volume                     184.847
_database_code_amcsd             0010824
_exptl_crystal_density_diffrn    7.045
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Tl3 As S3'
_cod_database_code               9011432
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_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
Tl 0.03574 0.03574 0.04268 0.00781 0.01215 0.01215
As 0.02025 0.02025 0.02025 0.00434 0.00434 0.00434
S 0.03906 0.03906 0.02170 0.01085 0.00651 0.00651
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl 0.99570 0.99570 0.60880 0.04053
As 0.44580 0.44580 0.44580 0.02254
S 0.43100 0.43100 0.06700 0.03648
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010824
