The material structure described by CeTaO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), three equivalent O(2), and three equivalent O(3) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Ta(1) atom. In the third O site, O(3) is bonded to three equivalent Ce(1) and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OCe3Ta tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   7.664
_cell_length_c   7.762
_cell_angle_alpha   79.616
_cell_angle_beta   90.001
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   322.324
_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
  Ce  Ce0  1  0.273  0.348  0.397  1.0
  Ce  Ce1  1  0.727  0.652  0.603  1.0
  Ce  Ce2  1  0.227  0.348  0.897  1.0
  Ce  Ce3  1  0.773  0.652  0.103  1.0
  Ta  Ta4  1  0.232  0.835  0.809  1.0
  Ta  Ta5  1  0.268  0.835  0.309  1.0
  Ta  Ta6  1  0.732  0.165  0.691  1.0
  Ta  Ta7  1  0.768  0.165  0.191  1.0
  O  O8  1  0.156  0.833  0.055  1.0
  O  O9  1  0.994  0.332  0.633  1.0
  O  O10  1  0.483  0.617  0.331  1.0
  O  O11  1  0.494  0.668  0.867  1.0
  O  O12  1  0.413  0.057  0.795  1.0
  O  O13  1  0.506  0.332  0.133  1.0
  O  O14  1  0.656  0.167  0.445  1.0
  O  O15  1  0.587  0.943  0.205  1.0
  O  O16  1  0.983  0.383  0.169  1.0
  O  O17  1  0.913  0.943  0.705  1.0
  O  O18  1  0.344  0.833  0.555  1.0
  O  O19  1  0.017  0.617  0.831  1.0
  O  O20  1  0.087  0.057  0.295  1.0
  O  O21  1  0.517  0.383  0.669  1.0
  O  O22  1  0.006  0.668  0.367  1.0
  O  O23  1  0.844  0.167  0.945  1.0
[/CIF]
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The material structure described by CeTaO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), three equivalent O(2), and three equivalent O(3) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Ta(1) atom. In the third O site, O(3) is bonded to three equivalent Ce(1) and one Ta(1) atom to form a mixture of distorted corner and edge-sharing OCe3Ta tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   7.664
_cell_length_c   7.762
_cell_angle_alpha   79.616
_cell_angle_beta   90.001
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   322.324
_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
  Ce  Ce0  1  0.273  0.348  0.397  1.0
  Ce  Ce1  1  0.727  0.652  0.603  1.0
  Ce  Ce2  1  0.227  0.348  0.897  1.0
  Ce  Ce3  1  0.773  0.652  0.103  1.0
  Ta  Ta4  1  0.232  0.835  0.809  1.0
  Ta  Ta5  1  0.268  0.835  0.309  1.0
  Ta  Ta6  1  0.732  0.165  0.691  1.0
  Ta  Ta7  1  0.768  0.165  0.191  1.0
  O  O8  1  0.156  0.833  0.055  1.0
  O  O9  1  0.994  0.332  0.633  1.0
  O  O10  1  0.483  0.617  0.331  1.0
  O  O11  1  0.494  0.668  0.867  1.0
  O  O12  1  0.413  0.057  0.795  1.0
  O  O13  1  0.506  0.332  0.133  1.0
  O  O14  1  0.656  0.167  0.445  1.0
  O  O15  1  0.587  0.943  0.205  1.0
  O  O16  1  0.983  0.383  0.169  1.0
  O  O17  1  0.913  0.943  0.705  1.0
  O  O18  1  0.344  0.833  0.555  1.0
  O  O19  1  0.017  0.617  0.831  1.0
  O  O20  1  0.087  0.057  0.295  1.0
  O  O21  1  0.517  0.383  0.669  1.0
  O  O22  1  0.006  0.668  0.367  1.0
  O  O23  1  0.844  0.167  0.945  1.0
[/CIF]
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