#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012181.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_2012181
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1004
_journal_page_last  1005
_publ_section_title
;
Indium tellurium trioxide chloride, InTeO~3~Cl
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Gaudin, Etienne'
  'Chaminade, Jean-Pierre'
  'El Abed, Ahmed'
  'Darriet, Jacques'
_chemical_formula_moiety  'In Te O3 Cl'
_chemical_formula_sum            'Cl In O3 Te'
_[local]_cod_chemical_formula_sum_orig 'Cl1 In1 O3 Te1'
_chemical_formula_weight  325.87
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,1/2+y,1/2-z
  3 -x,-y,-z
  4 x,1/2-y,1/2+z
_cell_length_a  8.2596(4)
_cell_length_b  6.8752(3)
_cell_length_c  7.1394(3)
_cell_angle_alpha  90
_cell_angle_beta  103.121(2)
_cell_angle_gamma  90
_cell_volume  394.84(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_cell_measurement_pressure  ?
_exptl_crystal_density_diffrn  5.48
_exptl_crystal_density_meas  5.34
_diffrn_ambient_temperature  293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_type_symbol
  In  .32477(7)  .24979(5)  .20399(6)  .0071(2) 1 In
  Te  .29289(6)  .72638(6)  .94533(6)  .00698(15) 1 Te
  Cl  .0950(2)  .2093(2)  .8921(2)  .0156(5) 1 Cl
  O1  .5235(6)  .7838(5)  .0060(6)  .0099(14) 1 O
  O2  .3158(7)  .5536(5)  .7441(6)  .0113(15) 1 O
  O3  .3128(7)  .5533(5)  .1578(6)  .013(2) 1 O
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
  In  .0110(3)  .0041(2)  .0070(2)  .0002(2)  .0035(2)  .00025(15)
  Te  .0071(2)  .0079(2)  .0066(2)  .0010(2)  .0028(2)  .00084(15)
  Cl  .0121(9)  .0246(9)  .0110(7)  -.0029(7)  .0044(6)  .0006(6)
  O1  .013(2)  .015(2)  .002(2)  -.003(2)  .002(2)  .001(2)
  O2  .018(3)  .004(2)  .013(2)  -.001(2)  .005(2)  -.002(2)
  O3  .019(3)  .004(2)  .017(2)  -.002(2)  .008(2)  .002(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
  In Cl . 1_554 2.592(2)
  In Cl . 4_554 2.577(2)
  In O1 . 3_665 2.174(5)
  In O1 . 2_645 2.176(4)
  In O2 . 4_554 2.109(4)
  In O3 . . 2.111(4)
  Te O1 . 1_556 1.897(5)
  Te O2 . . 1.907(4)
  Te O2 . 4_565 2.586(4)
  Te O3 . 1_556 1.905(4)
  Te O3 . 4_565 2.586(4)