The material structure described by TbCeO4 is Fluorite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a body-centered cubic geometry to one O(1,12); one O(5); one O(7); one O(8,11); two equivalent O(3); and two O(6,6) atoms. In the second Tb site, Tb(2) is bonded in a body-centered cubic geometry to one O(1,12); one O(5); one O(7); one O(8,11); two equivalent O(2); and two equivalent O(9) atoms. In the third Tb site, Tb(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(2); one O(3); one O(5); one O(6); one O(7); one O(8,11); and one O(9) atom. In the fourth Tb site, Tb(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(2); one O(3); one O(5); one O(6); one O(7); one O(8,11); and one O(9) atom. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(4); one O(8,11); two equivalent O(3); and two O(6,6) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(4); one O(8,11); two equivalent O(2); and two equivalent O(9) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(2); one O(3); one O(4); one O(6); one O(8,11); and one O(9) atom. In the fourth Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(2); one O(3); one O(4); one O(6); one O(8,11); and one O(9) atom. In the fifth Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(2); one O(3); one O(4); one O(6); one O(8,11); and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1,12) is bonded to one Tb(1); one Tb(2); and two Ce(3,3) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(4)Ce4 tetrahedra; corners with two equivalent O(5)Tb4 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; and edges with two equivalent O(3)Tb2Ce2 tetrahedra. In the second O site, O(2) is bonded to one Tb(2), one Tb(3), one Ce(2), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(10,10)Ce4 tetrahedra; corners with two equivalent O(2)Tb2Ce2 tetrahedra; corners with two equivalent O(3)Tb2Ce2 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(6)Tb2Ce2 tetrahedra;  an edgeedge with one O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; and edges with two equivalent O(1,12)Tb2Ce2 tetrahedra. In the third O site, O(3) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(10,10)Ce4 tetrahedra; corners with two equivalent O(2)Tb2Ce2 tetrahedra; corners with two equivalent O(3)Tb2Ce2 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(6)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(6)Tb2Ce2 tetrahedra;  an edgeedge with one O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; and edges with two equivalent O(1,12)Tb2Ce2 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form OCe4 tetrahedra that share corners with four O(10,10)Ce4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the fifth O site, O(5) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; corners with four equivalent O(7)Tb4 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the sixth O site, O(6) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the seventh O site, O(6) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the eighth O site, O(7) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; corners with four O(5,5)Tb4 tetrahedra; edges with two equivalent O(1,12)Tb2Ce2 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)Tb2Ce2 tetrahedra. In the ninth O site, O(8,11) is bonded to one Tb(1), one Tb(2), and two equivalent Ce(3) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(10)Ce4 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)Tb2Ce2 tetrahedra. In the tenth O site, O(9) is bonded to one Tb(2), one Tb(3), one Ce(2), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the eleventh O site, O(10) is bonded to one Ce(1); one Ce(2); and two Ce(3,3) atoms to form OCe4 tetrahedra that share corners with four O(4,4)Ce4 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; edges with two equivalent O(1,12)Tb2Ce2 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)Tb2Ce2 tetrahedra. In the twelfth O site, O(3) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(10,10)Ce4 tetrahedra; corners with two equivalent O(2)Tb2Ce2 tetrahedra; corners with two equivalent O(3)Tb2Ce2 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(6)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(6)Tb2Ce2 tetrahedra;  an edgeedge with one O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; and edges with two equivalent O(1,12)Tb2Ce2 tetrahedra. In the thirteenth O site, O(4) is bonded to one Ce(1); one Ce(2); and two Ce(3,3) atoms to form OCe4 tetrahedra that share corners with four O(10,10)Ce4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the fourteenth O site, O(5) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; corners with four equivalent O(7)Tb4 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the fifteenth O site, O(6) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the sixteenth O site, O(10) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form OCe4 tetrahedra that share corners with four O(4,4)Ce4 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; edges with two equivalent O(1,12)Tb2Ce2 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)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  0.125  0.625  0.625  1.0
  Tb  Tb1  1  0.625  0.625  0.625  1.0
  Tb  Tb2  1  0.625  0.625  0.125  1.0
  Tb  Tb3  1  0.625  0.125  0.625  1.0
  Ce  Ce4  1  0.125  0.125  0.125  1.0
  Ce  Ce5  1  0.625  0.125  0.125  1.0
  Ce  Ce6  1  0.125  0.625  0.125  1.0
  Ce  Ce7  1  0.125  0.125  0.625  1.0
  O  O8  1  0.008  0.492  0.492  1.0
  O  O9  1  0.758  0.758  0.242  1.0
  O  O10  1  0.251  0.749  0.251  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  0.251  0.251  0.749  1.0
  O  O14  1  0.758  0.242  0.758  1.0
  O  O15  1  0.008  0.008  0.492  1.0
  O  O16  1  0.008  0.492  0.008  1.0
  O  O17  1  0.750  0.750  0.750  1.0
  O  O18  1  0.242  0.758  0.758  1.0
  O  O19  1  0.492  0.492  0.008  1.0
  O  O20  1  0.250  0.250  0.250  1.0
  O  O21  1  0.758  0.242  0.242  1.0
  O  O22  1  0.492  0.008  0.492  1.0
  O  O23  1  0.492  0.008  0.008  1.0
[/CIF]
.
The material structure described by TbCeO4 is Fluorite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a body-centered cubic geometry to one O(1,12); one O(5); one O(7); one O(8,11); two equivalent O(3); and two O(6,6) atoms. In the second Tb site, Tb(2) is bonded in a body-centered cubic geometry to one O(1,12); one O(5); one O(7); one O(8,11); two equivalent O(2); and two equivalent O(9) atoms. In the third Tb site, Tb(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(2); one O(3); one O(5); one O(6); one O(7); one O(8,11); and one O(9) atom. In the fourth Tb site, Tb(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(2); one O(3); one O(5); one O(6); one O(7); one O(8,11); and one O(9) atom. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(4); one O(8,11); two equivalent O(3); and two O(6,6) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(4); one O(8,11); two equivalent O(2); and two equivalent O(9) atoms. In the third Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(2); one O(3); one O(4); one O(6); one O(8,11); and one O(9) atom. In the fourth Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(2); one O(3); one O(4); one O(6); one O(8,11); and one O(9) atom. In the fifth Ce site, Ce(3) is bonded in a body-centered cubic geometry to one O(1,12); one O(10); one O(2); one O(3); one O(4); one O(6); one O(8,11); and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1,12) is bonded to one Tb(1); one Tb(2); and two Ce(3,3) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(4)Ce4 tetrahedra; corners with two equivalent O(5)Tb4 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; and edges with two equivalent O(3)Tb2Ce2 tetrahedra. In the second O site, O(2) is bonded to one Tb(2), one Tb(3), one Ce(2), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(10,10)Ce4 tetrahedra; corners with two equivalent O(2)Tb2Ce2 tetrahedra; corners with two equivalent O(3)Tb2Ce2 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(6)Tb2Ce2 tetrahedra;  an edgeedge with one O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; and edges with two equivalent O(1,12)Tb2Ce2 tetrahedra. In the third O site, O(3) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(10,10)Ce4 tetrahedra; corners with two equivalent O(2)Tb2Ce2 tetrahedra; corners with two equivalent O(3)Tb2Ce2 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(6)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(6)Tb2Ce2 tetrahedra;  an edgeedge with one O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; and edges with two equivalent O(1,12)Tb2Ce2 tetrahedra. In the fourth O site, O(4) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form OCe4 tetrahedra that share corners with four O(10,10)Ce4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the fifth O site, O(5) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; corners with four equivalent O(7)Tb4 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the sixth O site, O(6) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the seventh O site, O(6) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the eighth O site, O(7) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; corners with four O(5,5)Tb4 tetrahedra; edges with two equivalent O(1,12)Tb2Ce2 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)Tb2Ce2 tetrahedra. In the ninth O site, O(8,11) is bonded to one Tb(1), one Tb(2), and two equivalent Ce(3) atoms to form OTb2Ce2 tetrahedra that share corners with two equivalent O(10)Ce4 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)Tb2Ce2 tetrahedra. In the tenth O site, O(9) is bonded to one Tb(2), one Tb(3), one Ce(2), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the eleventh O site, O(10) is bonded to one Ce(1); one Ce(2); and two Ce(3,3) atoms to form OCe4 tetrahedra that share corners with four O(4,4)Ce4 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; edges with two equivalent O(1,12)Tb2Ce2 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)Tb2Ce2 tetrahedra. In the twelfth O site, O(3) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(10,10)Ce4 tetrahedra; corners with two equivalent O(2)Tb2Ce2 tetrahedra; corners with two equivalent O(3)Tb2Ce2 tetrahedra; corners with two equivalent O(7)Tb4 tetrahedra; corners with four equivalent O(6)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra;  an edgeedge with one O(4)Ce4 tetrahedra;  an edgeedge with one O(6)Tb2Ce2 tetrahedra;  an edgeedge with one O(9)Tb2Ce2 tetrahedra;  an edgeedge with one O(5)Tb4 tetrahedra; and edges with two equivalent O(1,12)Tb2Ce2 tetrahedra. In the thirteenth O site, O(4) is bonded to one Ce(1); one Ce(2); and two Ce(3,3) atoms to form OCe4 tetrahedra that share corners with four O(10,10)Ce4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the fourteenth O site, O(5) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(6,6,6)Tb2Ce2 tetrahedra; corners with four equivalent O(9)Tb2Ce2 tetrahedra; corners with four equivalent O(7)Tb4 tetrahedra; edges with two equivalent O(2)Tb2Ce2 tetrahedra; edges with two equivalent O(3)Tb2Ce2 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the fifteenth O site, O(6) is bonded to one Tb(1), one Tb(3), one Ce(1), and one Ce(3) atom to form OTb2Ce2 tetrahedra that share corners with two O(4,4)Ce4 tetrahedra; corners with two equivalent O(6)Tb2Ce2 tetrahedra; corners with two equivalent O(9)Tb2Ce2 tetrahedra; corners with two O(5,5)Tb4 tetrahedra; corners with four equivalent O(1,12)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra;  an edgeedge with one O(10)Ce4 tetrahedra;  an edgeedge with one O(2)Tb2Ce2 tetrahedra;  an edgeedge with one O(3)Tb2Ce2 tetrahedra;  an edgeedge with one O(7)Tb4 tetrahedra; and edges with two equivalent O(8,11)Tb2Ce2 tetrahedra. In the sixteenth O site, O(10) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form OCe4 tetrahedra that share corners with four O(4,4)Ce4 tetrahedra; corners with four equivalent O(2)Tb2Ce2 tetrahedra; corners with four O(3,3)Tb2Ce2 tetrahedra; corners with four equivalent O(8,11)Tb2Ce2 tetrahedra; edges with two equivalent O(1,12)Tb2Ce2 tetrahedra; edges with two O(6,6)Tb2Ce2 tetrahedra; and edges with two equivalent O(9)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  0.125  0.625  0.625  1.0
  Tb  Tb1  1  0.625  0.625  0.625  1.0
  Tb  Tb2  1  0.625  0.625  0.125  1.0
  Tb  Tb3  1  0.625  0.125  0.625  1.0
  Ce  Ce4  1  0.125  0.125  0.125  1.0
  Ce  Ce5  1  0.625  0.125  0.125  1.0
  Ce  Ce6  1  0.125  0.625  0.125  1.0
  Ce  Ce7  1  0.125  0.125  0.625  1.0
  O  O8  1  0.008  0.492  0.492  1.0
  O  O9  1  0.758  0.758  0.242  1.0
  O  O10  1  0.251  0.749  0.251  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  0.251  0.251  0.749  1.0
  O  O14  1  0.758  0.242  0.758  1.0
  O  O15  1  0.008  0.008  0.492  1.0
  O  O16  1  0.008  0.492  0.008  1.0
  O  O17  1  0.750  0.750  0.750  1.0
  O  O18  1  0.242  0.758  0.758  1.0
  O  O19  1  0.492  0.492  0.008  1.0
  O  O20  1  0.250  0.250  0.250  1.0
  O  O21  1  0.758  0.242  0.242  1.0
  O  O22  1  0.492  0.008  0.492  1.0
  O  O23  1  0.492  0.008  0.008  1.0
[/CIF]
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