The material structure described by TbCeO4 is Fluorite-derived structured and crystallizes in the cubic F-43m space group. Tb(1) is bonded in a body-centered cubic geometry to one O(4), one O(5), three equivalent O(1), and three equivalent O(2) atoms. Ce(1) is bonded in a body-centered cubic geometry to one O(3), one O(6), three equivalent O(1), and three equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Ce(1) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(3)Ce4 tetrahedra, corners with two equivalent O(4)Tb4 tetrahedra, corners with four equivalent O(2)Tb2Ce2 tetrahedra, corners with eight equivalent O(1)Tb2Ce2 tetrahedra,  an edgeedge with one O(6)Ce4 tetrahedra,  an edgeedge with one O(5)Tb4 tetrahedra, and edges with four equivalent O(2)Tb2Ce2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent Ce(1) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(6)Ce4 tetrahedra, corners with two equivalent O(5)Tb4 tetrahedra, corners with four equivalent O(1)Tb2Ce2 tetrahedra, corners with eight equivalent O(2)Tb2Ce2 tetrahedra,  an edgeedge with one O(3)Ce4 tetrahedra,  an edgeedge with one O(4)Tb4 tetrahedra, and edges with four equivalent O(1)Tb2Ce2 tetrahedra. In the third O site, O(3) is bonded to four equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with four equivalent O(6)Ce4 tetrahedra, corners with twelve equivalent O(1)Tb2Ce2 tetrahedra, and edges with six equivalent O(2)Tb2Ce2 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(5)Tb4 tetrahedra, corners with twelve equivalent O(1)Tb2Ce2 tetrahedra, and edges with six equivalent O(2)Tb2Ce2 tetrahedra. In the fifth O site, O(5) is bonded to four equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(4)Tb4 tetrahedra, corners with twelve equivalent O(2)Tb2Ce2 tetrahedra, and edges with six equivalent O(1)Tb2Ce2 tetrahedra. In the sixth O site, O(6) is bonded to four equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with four equivalent O(3)Ce4 tetrahedra, corners with twelve equivalent O(2)Tb2Ce2 tetrahedra, and edges with six equivalent O(1)Tb2Ce2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.741
_cell_length_b   7.741
_cell_length_c   7.741
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   327.988
_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
  Tb  Tb0  1  0.374  0.879  0.374  1.0
  Tb  Tb1  1  0.879  0.374  0.374  1.0
  Tb  Tb2  1  0.374  0.374  0.374  1.0
  Tb  Tb3  1  0.374  0.374  0.879  1.0
  Ce  Ce4  1  0.374  0.875  0.875  1.0
  Ce  Ce5  1  0.875  0.374  0.875  1.0
  Ce  Ce6  1  0.875  0.875  0.374  1.0
  Ce  Ce7  1  0.875  0.875  0.875  1.0
  O  O8  1  0.994  0.994  0.506  1.0
  O  O9  1  0.750  0.250  0.250  1.0
  O  O10  1  0.250  0.750  0.250  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.500  0.500  0.500  1.0
  O  O13  1  0.250  0.750  0.750  1.0
  O  O14  1  0.750  0.250  0.750  1.0
  O  O15  1  0.506  0.994  0.994  1.0
  O  O16  1  0.506  0.994  0.506  1.0
  O  O17  1  0.250  0.250  0.250  1.0
  O  O18  1  0.750  0.750  0.250  1.0
  O  O19  1  0.994  0.506  0.506  1.0
  O  O20  1  0.750  0.750  0.750  1.0
  O  O21  1  0.250  0.250  0.750  1.0
  O  O22  1  0.994  0.506  0.994  1.0
  O  O23  1  0.506  0.506  0.994  1.0
[/CIF]
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The material structure described by TbCeO4 is Fluorite-derived structured and crystallizes in the cubic F-43m space group. Tb(1) is bonded in a body-centered cubic geometry to one O(4), one O(5), three equivalent O(1), and three equivalent O(2) atoms. Ce(1) is bonded in a body-centered cubic geometry to one O(3), one O(6), three equivalent O(1), and three equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Ce(1) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(3)Ce4 tetrahedra, corners with two equivalent O(4)Tb4 tetrahedra, corners with four equivalent O(2)Tb2Ce2 tetrahedra, corners with eight equivalent O(1)Tb2Ce2 tetrahedra,  an edgeedge with one O(6)Ce4 tetrahedra,  an edgeedge with one O(5)Tb4 tetrahedra, and edges with four equivalent O(2)Tb2Ce2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Tb(1) and two equivalent Ce(1) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(6)Ce4 tetrahedra, corners with two equivalent O(5)Tb4 tetrahedra, corners with four equivalent O(1)Tb2Ce2 tetrahedra, corners with eight equivalent O(2)Tb2Ce2 tetrahedra,  an edgeedge with one O(3)Ce4 tetrahedra,  an edgeedge with one O(4)Tb4 tetrahedra, and edges with four equivalent O(1)Tb2Ce2 tetrahedra. In the third O site, O(3) is bonded to four equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with four equivalent O(6)Ce4 tetrahedra, corners with twelve equivalent O(1)Tb2Ce2 tetrahedra, and edges with six equivalent O(2)Tb2Ce2 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(5)Tb4 tetrahedra, corners with twelve equivalent O(1)Tb2Ce2 tetrahedra, and edges with six equivalent O(2)Tb2Ce2 tetrahedra. In the fifth O site, O(5) is bonded to four equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(4)Tb4 tetrahedra, corners with twelve equivalent O(2)Tb2Ce2 tetrahedra, and edges with six equivalent O(1)Tb2Ce2 tetrahedra. In the sixth O site, O(6) is bonded to four equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with four equivalent O(3)Ce4 tetrahedra, corners with twelve equivalent O(2)Tb2Ce2 tetrahedra, and edges with six equivalent O(1)Tb2Ce2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.741
_cell_length_b   7.741
_cell_length_c   7.741
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   327.988
_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
  Tb  Tb0  1  0.374  0.879  0.374  1.0
  Tb  Tb1  1  0.879  0.374  0.374  1.0
  Tb  Tb2  1  0.374  0.374  0.374  1.0
  Tb  Tb3  1  0.374  0.374  0.879  1.0
  Ce  Ce4  1  0.374  0.875  0.875  1.0
  Ce  Ce5  1  0.875  0.374  0.875  1.0
  Ce  Ce6  1  0.875  0.875  0.374  1.0
  Ce  Ce7  1  0.875  0.875  0.875  1.0
  O  O8  1  0.994  0.994  0.506  1.0
  O  O9  1  0.750  0.250  0.250  1.0
  O  O10  1  0.250  0.750  0.250  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.500  0.500  0.500  1.0
  O  O13  1  0.250  0.750  0.750  1.0
  O  O14  1  0.750  0.250  0.750  1.0
  O  O15  1  0.506  0.994  0.994  1.0
  O  O16  1  0.506  0.994  0.506  1.0
  O  O17  1  0.250  0.250  0.250  1.0
  O  O18  1  0.750  0.750  0.250  1.0
  O  O19  1  0.994  0.506  0.506  1.0
  O  O20  1  0.750  0.750  0.750  1.0
  O  O21  1  0.250  0.250  0.750  1.0
  O  O22  1  0.994  0.506  0.994  1.0
  O  O23  1  0.506  0.506  0.994  1.0
[/CIF]
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