#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011183.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_1011183
_chemical_name_systematic          'Tellurium oxide'
_chemical_name_mineral             'Tellurite'
_chemical_compound_source
;
from Rendaizi mine, Izu Peninsula, Shizuoka Prefecture
;
_chemical_formula_structural       'Te O2'
_chemical_formula_sum              'O2 Te'
_publ_section_title                'The crystal structure of tellurite (Te O2)'
loop_
_publ_author_name
  'Ito, T'
  'Sawada, H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    102
_journal_year                      1940
_journal_page_first                13
_journal_page_last                 25
_cell_length_a                     5.5
_cell_length_b                     11.75
_cell_length_c                     5.59
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       361.3
_cell_formula_units_Z              8
_exptl_crystal_density_meas        4.9
_symmetry_space_group_name_H-M     'P c a b'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,y,1/2+z'
  'x,1/2+y,1/2-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te4+   4.000
  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
  Te1   Te4+   8 c 0.0275 0.1183 -0.1156 1.  0 d
  O1    O2-    8 c 0.24 -0.022 0.235 1.  0 d
  O2    O2-    8 c 0.164 0.174 0.535 1.  0 d