data_2300056
_journal_name_full  'Journal of Applied Crystallography'
_journal_year  2002
_journal_volume  35
_journal_page_first  233
_journal_page_last  242
_publ_section_title
;
Pb2ScTaO6 9903 HRPD Data
;
_chemical_formula_sum  'Pb Ta Sc O'
_symmetry_cell_setting  cubic
_symmetry_space_group_name_H-M  "F m -3 m"
loop_
_symmetry_equiv_pos_as_xyz
  +x,+y,+z
  +z,+x,+y
  +y,+z,+x
  +x,+y,-z
  -z,+x,+y
  +y,-z,+x
  -z,+x,-y
  -y,-z,+x
  +y,-z,-x
  -x,+y,-z
  -z,-x,+y
  +x,-y,-z
  +y,+x,+z
  +z,+y,+x
  +x,+z,+y
  +y,+x,-z
  -z,+y,+x
  +x,-z,+y
  -z,+y,-x
  -x,-z,+y
  +x,-z,-y
  -y,+x,-z
  -z,-y,+x
  +y,-x,-z
  -x,-y,-z
  -z,-x,-y
  -y,-z,-x
  -x,-y,+z
  +z,-x,-y
  -y,+z,-x
  +z,-x,+y
  +y,+z,-x
  -y,+z,+x
  +x,-y,+z
  +z,+x,-y
  -x,+y,+z
  -y,-x,-z
  -z,-y,-x
  -x,-z,-y
  -y,-x,+z
  +z,-y,-x
  -x,+z,-y
  +z,-y,+x
  +x,+z,-y
  -x,+z,+y
  +y,-x,+z
  +z,+y,-x
  -y,+x,+z
  +x,+y+1/2,+z+1/2
  +z,+x+1/2,+y+1/2
  +y,+z+1/2,+x+1/2
  +x,+y+1/2,-z+1/2
  -z,+x+1/2,+y+1/2
  +y,-z+1/2,+x+1/2
  -z,+x+1/2,-y+1/2
  -y,-z+1/2,+x+1/2
  +y,-z+1/2,-x+1/2
  -x,+y+1/2,-z+1/2
  -z,-x+1/2,+y+1/2
  +x,-y+1/2,-z+1/2
  +y,+x+1/2,+z+1/2
  +z,+y+1/2,+x+1/2
  +x,+z+1/2,+y+1/2
  +y,+x+1/2,-z+1/2
  -z,+y+1/2,+x+1/2
  +x,-z+1/2,+y+1/2
  -z,+y+1/2,-x+1/2
  -x,-z+1/2,+y+1/2
  +x,-z+1/2,-y+1/2
  -y,+x+1/2,-z+1/2
  -z,-y+1/2,+x+1/2
  +y,-x+1/2,-z+1/2
  -x,-y+1/2,-z+1/2
  -z,-x+1/2,-y+1/2
  -y,-z+1/2,-x+1/2
  -x,-y+1/2,+z+1/2
  +z,-x+1/2,-y+1/2
  -y,+z+1/2,-x+1/2
  +z,-x+1/2,+y+1/2
  +y,+z+1/2,-x+1/2
  -y,+z+1/2,+x+1/2
  +x,-y+1/2,+z+1/2
  +z,+x+1/2,-y+1/2
  -x,+y+1/2,+z+1/2
  -y,-x+1/2,-z+1/2
  -z,-y+1/2,-x+1/2
  -x,-z+1/2,-y+1/2
  -y,-x+1/2,+z+1/2
  +z,-y+1/2,-x+1/2
  -x,+z+1/2,-y+1/2
  +z,-y+1/2,+x+1/2
  +x,+z+1/2,-y+1/2
  -x,+z+1/2,+y+1/2
  +y,-x+1/2,+z+1/2
  +z,+y+1/2,-x+1/2
  -y,+x+1/2,+z+1/2
  +x+1/2,+y,+z+1/2
  +z+1/2,+x,+y+1/2
  +y+1/2,+z,+x+1/2
  +x+1/2,+y,-z+1/2
  -z+1/2,+x,+y+1/2
  +y+1/2,-z,+x+1/2
  -z+1/2,+x,-y+1/2
  -y+1/2,-z,+x+1/2
  +y+1/2,-z,-x+1/2
  -x+1/2,+y,-z+1/2
  -z+1/2,-x,+y+1/2
  +x+1/2,-y,-z+1/2
  +y+1/2,+x,+z+1/2
  +z+1/2,+y,+x+1/2
  +x+1/2,+z,+y+1/2
  +y+1/2,+x,-z+1/2
  -z+1/2,+y,+x+1/2
  +x+1/2,-z,+y+1/2
  -z+1/2,+y,-x+1/2
  -x+1/2,-z,+y+1/2
  +x+1/2,-z,-y+1/2
  -y+1/2,+x,-z+1/2
  -z+1/2,-y,+x+1/2
  +y+1/2,-x,-z+1/2
  -x+1/2,-y,-z+1/2
  -z+1/2,-x,-y+1/2
  -y+1/2,-z,-x+1/2
  -x+1/2,-y,+z+1/2
  +z+1/2,-x,-y+1/2
  -y+1/2,+z,-x+1/2
  +z+1/2,-x,+y+1/2
  +y+1/2,+z,-x+1/2
  -y+1/2,+z,+x+1/2
  +x+1/2,-y,+z+1/2
  +z+1/2,+x,-y+1/2
  -x+1/2,+y,+z+1/2
  -y+1/2,-x,-z+1/2
  -z+1/2,-y,-x+1/2
  -x+1/2,-z,-y+1/2
  -y+1/2,-x,+z+1/2
  +z+1/2,-y,-x+1/2
  -x+1/2,+z,-y+1/2
  +z+1/2,-y,+x+1/2
  +x+1/2,+z,-y+1/2
  -x+1/2,+z,+y+1/2
  +y+1/2,-x,+z+1/2
  +z+1/2,+y,-x+1/2
  -y+1/2,+x,+z+1/2
  +x+1/2,+y+1/2,+z
  +z+1/2,+x+1/2,+y
  +y+1/2,+z+1/2,+x
  +x+1/2,+y+1/2,-z
  -z+1/2,+x+1/2,+y
  +y+1/2,-z+1/2,+x
  -z+1/2,+x+1/2,-y
  -y+1/2,-z+1/2,+x
  +y+1/2,-z+1/2,-x
  -x+1/2,+y+1/2,-z
  -z+1/2,-x+1/2,+y
  +x+1/2,-y+1/2,-z
  +y+1/2,+x+1/2,+z
  +z+1/2,+y+1/2,+x
  +x+1/2,+z+1/2,+y
  +y+1/2,+x+1/2,-z
  -z+1/2,+y+1/2,+x
  +x+1/2,-z+1/2,+y
  -z+1/2,+y+1/2,-x
  -x+1/2,-z+1/2,+y
  +x+1/2,-z+1/2,-y
  -y+1/2,+x+1/2,-z
  -z+1/2,-y+1/2,+x
  +y+1/2,-x+1/2,-z
  -x+1/2,-y+1/2,-z
  -z+1/2,-x+1/2,-y
  -y+1/2,-z+1/2,-x
  -x+1/2,-y+1/2,+z
  +z+1/2,-x+1/2,-y
  -y+1/2,+z+1/2,-x
  +z+1/2,-x+1/2,+y
  +y+1/2,+z+1/2,-x
  -y+1/2,+z+1/2,+x
  +x+1/2,-y+1/2,+z
  +z+1/2,+x+1/2,-y
  -x+1/2,+y+1/2,+z
  -y+1/2,-x+1/2,-z
  -z+1/2,-y+1/2,-x
  -x+1/2,-z+1/2,-y
  -y+1/2,-x+1/2,+z
  +z+1/2,-y+1/2,-x
  -x+1/2,+z+1/2,-y
  +z+1/2,-y+1/2,+x
  +x+1/2,+z+1/2,-y
  -x+1/2,+z+1/2,+y
  +y+1/2,-x+1/2,+z
  +z+1/2,+y+1/2,-x
  -y+1/2,+x+1/2,+z
_cell_length_a  8.15231(3)
_cell_length_b  8.15231
_cell_length_c  8.15231
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  90.0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
  Pb .25 .25 .25 .0440(3)  Uiso 1.0
  Ta(1) .0 .0 .0 .0096(3)  Uiso .759(11)
  Sc(1) .5 .5 .5 .0096(3)  Uiso .759(11)
  Sc(2) .0 .0 .0 .0096(3)  Uiso .241(11)
  Ta(2) .5 .5 .5 .0096(3)  Uiso .241(11)
  O .2443(3)  .0 .0 .02621 Uani 1.0
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
  O .0085(4) .0 .0 .0351(4) .0351(4) .0