data_global
_amcsd_formula_title 'PbTeO3'
loop_
_publ_author_name
'Zavodnik V E'
'Ivanov S A'
'Stash A I'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 64 
_journal_year 2008
_journal_page_first i16
_journal_page_last i16
_publ_section_title
;
 alpha-Lead tellurite from single-crystal data
;
_database_code_amcsd 0010483
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb Te O3'
_cell_length_a 26.555
_cell_length_b 4.593
_cell_length_c 17.958
_cell_angle_alpha 90
_cell_angle_beta 106.97
_cell_angle_gamma 90
_cell_volume 2094.915
_exptl_crystal_density_diffrn      7.282
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1   0.18365   0.21366   0.73592   0.01749
Pb2   0.06649   0.22395   0.54345   0.01847
Pb3   0.16202  -0.24695   0.91390   0.01916
Te1   0.04734  -0.23056   0.36782   0.01331
Te2   0.06941  -0.25178   0.70793   0.01367
Te3   0.20758  -0.30201   0.59262   0.01439
O1   0.02040  -0.17900   0.45320   0.02400
O2   0.11720  -0.15600   0.42590   0.02850
O3   0.05590  -0.63480   0.37030   0.03400
O4   0.13590  -0.22100   0.78230   0.02010
O5   0.09520  -0.16940   0.62330   0.02800
O6   0.06590  -0.65280   0.69350   0.03500
O7   0.22140  -0.21200   0.69990   0.01800
O8   0.18580  -0.68300   0.60000   0.03300
O9   0.27810  -0.35500   0.60160   0.03400
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
Pb1 0.01503 0.01680 0.02066 0.00061 0.00526 -0.00209
Pb2 0.01480 0.02150 0.01935 0.00049 0.00528 0.00186
Pb3 0.02372 0.02011 0.01346 0.00414 0.00511 0.00129
Te1 0.01610 0.01090 0.01450 0.00190 0.00698 -0.00030
Te2 0.01360 0.01060 0.01570 -0.00020 0.00254 -0.00210
Te3 0.01630 0.01220 0.01370 0.00090 0.00290 0.00010
O1 0.02200 0.03500 0.01600 -0.00700 0.00800 -0.00300
O2 0.01300 0.03200 0.03700 0.00500 0.00200 0.00700
O3 0.05600 0.00700 0.04000 0.01000 0.01400 -0.00200
O4 0.01700 0.03000 0.01400 -0.01300 0.00600 -0.00400
O5 0.05000 0.02200 0.01400 0.01500 0.01200 0.01000
O6 0.04400 0.00500 0.05700 -0.00400 0.01900 -0.01200
O7 0.02000 0.01400 0.02000 0.00600 0.00700 0.00600
O8 0.05300 0.02100 0.02400 -0.01600 0.01300 0.00000
O9 0.01300 0.05200 0.03900 0.01400 0.01000 0.00000