The material described by Ba2CeNbO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. Ce(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Ce(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Ce(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CeNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   6.103
_cell_length_c   6.164
_cell_angle_alpha   59.912
_cell_angle_beta   59.912
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   162.203
_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
  Ba  Ba0  1  0.751  0.751  0.745  1.0
  Ba  Ba1  1  0.249  0.249  0.255  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.735  0.735  0.212  1.0
  O  O5  1  0.265  0.265  0.788  1.0
  O  O6  1  0.291  0.765  0.706  1.0
  O  O7  1  0.235  0.709  0.294  1.0
  O  O8  1  0.709  0.235  0.294  1.0
  O  O9  1  0.765  0.291  0.706  1.0
[/CIF]
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The material described by Ba2CeNbO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. Ce(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Ce(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Ce(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CeNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   6.103
_cell_length_c   6.164
_cell_angle_alpha   59.912
_cell_angle_beta   59.912
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   162.203
_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
  Ba  Ba0  1  0.751  0.751  0.745  1.0
  Ba  Ba1  1  0.249  0.249  0.255  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.735  0.735  0.212  1.0
  O  O5  1  0.265  0.265  0.788  1.0
  O  O6  1  0.291  0.765  0.706  1.0
  O  O7  1  0.235  0.709  0.294  1.0
  O  O8  1  0.709  0.235  0.294  1.0
  O  O9  1  0.765  0.291  0.706  1.0
[/CIF]
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