The crystal structure described by CeNbO4 crystallizes in the triclinic P-1 space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nb(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_CeNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   5.383
_cell_length_c   6.889
_cell_angle_alpha   113.019
_cell_angle_beta   112.920
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   166.480
_cell_formula_units_Z   2
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  0.375  0.126  0.750  1.0
  Ce  Ce1  1  0.625  0.874  0.250  1.0
  Nb  Nb2  1  0.875  0.625  0.750  1.0
  Nb  Nb3  1  0.125  0.375  0.250  1.0
  O  O4  1  0.619  0.293  0.575  1.0
  O  O5  1  0.282  0.118  0.075  1.0
  O  O6  1  0.718  0.882  0.925  1.0
  O  O7  1  0.792  0.456  0.075  1.0
  O  O8  1  0.208  0.544  0.925  1.0
  O  O9  1  0.381  0.707  0.425  1.0
  O  O10  1  0.956  0.782  0.575  1.0
  O  O11  1  0.044  0.218  0.425  1.0
[/CIF]
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The crystal structure described by CeNbO4 crystallizes in the triclinic P-1 space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nb(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_CeNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   5.383
_cell_length_c   6.889
_cell_angle_alpha   113.019
_cell_angle_beta   112.920
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   166.480
_cell_formula_units_Z   2
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  0.375  0.126  0.750  1.0
  Ce  Ce1  1  0.625  0.874  0.250  1.0
  Nb  Nb2  1  0.875  0.625  0.750  1.0
  Nb  Nb3  1  0.125  0.375  0.250  1.0
  O  O4  1  0.619  0.293  0.575  1.0
  O  O5  1  0.282  0.118  0.075  1.0
  O  O6  1  0.718  0.882  0.925  1.0
  O  O7  1  0.792  0.456  0.075  1.0
  O  O8  1  0.208  0.544  0.925  1.0
  O  O9  1  0.381  0.707  0.425  1.0
  O  O10  1  0.956  0.782  0.575  1.0
  O  O11  1  0.044  0.218  0.425  1.0
[/CIF]
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