The compound described by Ba2TbCeO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share faces with four equivalent Tb(1)O6 octahedra and faces with four equivalent Ce(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Tb(1) is bonded to six equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Tb(1), and one Ce(1) atom. is represented by the CIF file [CIF]
data_Ba2TbCeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.868
_cell_length_b   8.868
_cell_length_c   8.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.365
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  Tb  Tb8  1  0.250  0.250  0.250  1.0
  Tb  Tb9  1  0.250  0.750  0.750  1.0
  Tb  Tb10  1  0.750  0.250  0.750  1.0
  Tb  Tb11  1  0.750  0.750  0.250  1.0
  Ce  Ce12  1  0.750  0.750  0.750  1.0
  Ce  Ce13  1  0.750  0.250  0.250  1.0
  Ce  Ce14  1  0.250  0.750  0.250  1.0
  Ce  Ce15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.225  0.279  0.502  1.0
  O  O17  1  0.225  0.721  0.498  1.0
  O  O18  1  0.775  0.279  0.498  1.0
  O  O19  1  0.775  0.721  0.502  1.0
  O  O20  1  0.279  0.502  0.225  1.0
  O  O21  1  0.721  0.498  0.225  1.0
  O  O22  1  0.279  0.498  0.775  1.0
  O  O23  1  0.721  0.502  0.775  1.0
  O  O24  1  0.502  0.225  0.279  1.0
  O  O25  1  0.498  0.225  0.721  1.0
  O  O26  1  0.498  0.775  0.279  1.0
  O  O27  1  0.502  0.775  0.721  1.0
  O  O28  1  0.275  0.221  0.998  1.0
  O  O29  1  0.275  0.779  0.002  1.0
  O  O30  1  0.725  0.221  0.002  1.0
  O  O31  1  0.725  0.779  0.998  1.0
  O  O32  1  0.221  0.998  0.275  1.0
  O  O33  1  0.779  0.002  0.275  1.0
  O  O34  1  0.221  0.002  0.725  1.0
  O  O35  1  0.779  0.998  0.725  1.0
  O  O36  1  0.998  0.275  0.221  1.0
  O  O37  1  0.002  0.275  0.779  1.0
  O  O38  1  0.002  0.725  0.221  1.0
  O  O39  1  0.998  0.725  0.779  1.0
[/CIF]
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The compound described by Ba2TbCeO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share faces with four equivalent Tb(1)O6 octahedra and faces with four equivalent Ce(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Tb(1) is bonded to six equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(2), one Tb(1), and one Ce(1) atom. is represented by the CIF file [CIF]
data_Ba2TbCeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.868
_cell_length_b   8.868
_cell_length_c   8.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   697.365
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  Tb  Tb8  1  0.250  0.250  0.250  1.0
  Tb  Tb9  1  0.250  0.750  0.750  1.0
  Tb  Tb10  1  0.750  0.250  0.750  1.0
  Tb  Tb11  1  0.750  0.750  0.250  1.0
  Ce  Ce12  1  0.750  0.750  0.750  1.0
  Ce  Ce13  1  0.750  0.250  0.250  1.0
  Ce  Ce14  1  0.250  0.750  0.250  1.0
  Ce  Ce15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.225  0.279  0.502  1.0
  O  O17  1  0.225  0.721  0.498  1.0
  O  O18  1  0.775  0.279  0.498  1.0
  O  O19  1  0.775  0.721  0.502  1.0
  O  O20  1  0.279  0.502  0.225  1.0
  O  O21  1  0.721  0.498  0.225  1.0
  O  O22  1  0.279  0.498  0.775  1.0
  O  O23  1  0.721  0.502  0.775  1.0
  O  O24  1  0.502  0.225  0.279  1.0
  O  O25  1  0.498  0.225  0.721  1.0
  O  O26  1  0.498  0.775  0.279  1.0
  O  O27  1  0.502  0.775  0.721  1.0
  O  O28  1  0.275  0.221  0.998  1.0
  O  O29  1  0.275  0.779  0.002  1.0
  O  O30  1  0.725  0.221  0.002  1.0
  O  O31  1  0.725  0.779  0.998  1.0
  O  O32  1  0.221  0.998  0.275  1.0
  O  O33  1  0.779  0.002  0.275  1.0
  O  O34  1  0.221  0.002  0.725  1.0
  O  O35  1  0.779  0.998  0.725  1.0
  O  O36  1  0.998  0.275  0.221  1.0
  O  O37  1  0.002  0.275  0.779  1.0
  O  O38  1  0.002  0.725  0.221  1.0
  O  O39  1  0.998  0.725  0.779  1.0
[/CIF]
.