#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010952.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010952
_chemical_name_systematic          'Thallium(III) oxide'
_chemical_name_mineral             'Avicennite'
_chemical_formula_structural       'Tl2 O3'
_chemical_formula_sum              'O3 Tl2'
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen A B O3
;
loop_
_publ_author_name                  'Zachariasen, W H'
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_coden_ASTM                SUNVAQ
_journal_volume                    1928
_journal_year                      1928
_journal_page_first                1
_journal_page_last                 165
_cell_length_a                     10.57(3)
_cell_length_b                     10.57(3)
_cell_length_c                     10.57(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1180.9
_cell_formula_units_Z              16
_symmetry_space_group_name_H-M     'I 21 3'
_symmetry_Int_Tables_number        199
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
  '1/2+x,1/2+y,1/2+z'
  '1/2+y,1/2+z,1/2+x'
  '1/2+z,1/2+x,1/2+y'
  'x,-y,1/2-z'
  'y,-z,1/2-x'
  'z,-x,1/2-y'
  '1/2-x,y,-z'
  '1/2-y,z,-x'
  '1/2-z,x,-y'
  '-x,1/2-y,z'
  '-y,1/2-z,x'
  '-z,1/2-x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tl3+   3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Tl1   Tl3+   8 a 0.25 0.25 0.25 1.  0 d
  Tl2   Tl3+  12 b 0.021(7) 0. 0.25 1.  0 d
  Tl3   Tl3+  12 b 0.542(14) 0. 0.25 1.  0 d
  O1    O2-   24 c 0.125 0.125 0.375 1.  0 d
  O2    O2-   24 c 0.125 0.375 0.375 1.  0 d