#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009222.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_9009222
loop_
_publ_author_name
'Otto, H. H.'
'Baltrusch, R.'
'Brant, H. J.'
_publ_section_title
;
 Further evidence for Tl3+ in Tl-based superconductors from improved
 bond strength parameters involving new structural data of cubic Tl2O3
;
_journal_name_full               'Physica C'
_journal_page_first              205
_journal_page_last               208
_journal_paper_doi               10.1016/0921-4534(93)90382-Z
_journal_volume                  215
_journal_year                    1993
_chemical_formula_sum            'O3 Tl2'
_chemical_name_mineral           Avicennite
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5344
_cell_length_b                   10.5344
_cell_length_c                   10.5344
_cell_formula_units_Z            16
_cell_volume                     1169.040
_database_code_amcsd             0015057
_exptl_crystal_density_diffrn    10.381
_cod_original_sg_symbol_H-M      'I a 3'
_cod_original_formula_sum        'Tl2 O3'
_cod_database_code               9009222
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+z,x,1/2-y
+z,1/2+x,-y
1/2+z,-x,y
+z,1/2-x,1/2+y
-z,x,1/2+y
1/2-z,1/2+x,+y
-z,-x,-y
1/2-z,1/2-x,1/2-y
1/2+y,1/2-z,-x
+y,-z,1/2-x
-y,1/2-z,x
1/2-y,-z,1/2+x
1/2-y,z,-x
-y,1/2+z,1/2-x
y,z,x
1/2+y,1/2+z,1/2+x
x,1/2-y,1/2+z
1/2+x,-y,+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
1/2-z,-x,1/2+y
-z,1/2-x,+y
1/2-z,x,-y
-z,1/2+x,1/2-y
z,-x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+z,1/2+x,1/2+y
1/2-y,1/2+z,x
-y,+z,1/2+x
y,1/2+z,-x
1/2+y,+z,1/2-x
1/2+y,-z,x
+y,1/2-z,1/2+x
-y,-z,-x
1/2-y,1/2-z,1/2-x
-x,1/2+y,1/2-z
1/2-x,+y,-z
x,-y,1/2-z
1/2+x,1/2-y,-z
-x,1/2-y,z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl1 0.25000 0.25000 0.25000 0.01270
Tl2 0.96815 0.00000 0.25000 0.00810
O 0.38240 0.39050 0.15420 0.02400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 7979876
2 AMCSD 0015057
