The material described by CeNb2InO6 crystallizes in the tetragonal I-42m space group. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-24°. In(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ce(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ce(1), two equivalent Nb(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CeNb2InO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.693
_cell_length_b   5.777
_cell_length_c   5.693
_cell_angle_alpha   60.481
_cell_angle_beta   90.000
_cell_angle_gamma   119.519
_symmetry_Int_Tables_number   1
_cell_volume   134.294
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.250  0.500  0.250  1.0
  Nb  Nb2  1  0.750  0.500  0.750  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.437  0.481  0.563  1.0
  O  O7  1  0.044  0.481  0.956  1.0
  O  O8  1  0.563  0.519  0.044  1.0
  O  O9  1  0.956  0.519  0.437  1.0
[/CIF]
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The material described by CeNb2InO6 crystallizes in the tetragonal I-42m space group. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-24°. In(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ce(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ce(1), two equivalent Nb(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CeNb2InO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.693
_cell_length_b   5.777
_cell_length_c   5.693
_cell_angle_alpha   60.481
_cell_angle_beta   90.000
_cell_angle_gamma   119.519
_symmetry_Int_Tables_number   1
_cell_volume   134.294
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.250  0.500  0.250  1.0
  Nb  Nb2  1  0.750  0.500  0.750  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.437  0.481  0.563  1.0
  O  O7  1  0.044  0.481  0.956  1.0
  O  O8  1  0.563  0.519  0.044  1.0
  O  O9  1  0.956  0.519  0.437  1.0
[/CIF]
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