The crystal structure described by Ba2MgCeNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent O(2), and two equivalent O(3) atoms. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ce(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CeMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   6.859
_cell_length_c   6.131
_cell_angle_alpha   59.610
_cell_angle_beta   60.334
_cell_angle_gamma   63.758
_symmetry_Int_Tables_number   1
_cell_volume   185.588
_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  0.812  0.621  0.754  1.0
  Ba  Ba1  1  0.188  0.379  0.246  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.000  0.000  1.0
  Nb  Nb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.720  0.311  0.249  1.0
  O  O6  1  0.280  0.689  0.751  1.0
  O  O7  1  0.266  0.252  0.767  1.0
  O  O8  1  0.285  0.748  0.233  1.0
  O  O9  1  0.734  0.748  0.233  1.0
  O  O10  1  0.715  0.252  0.767  1.0
[/CIF]
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The crystal structure described by Ba2MgCeNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent O(2), and two equivalent O(3) atoms. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ce(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CeMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   6.859
_cell_length_c   6.131
_cell_angle_alpha   59.610
_cell_angle_beta   60.334
_cell_angle_gamma   63.758
_symmetry_Int_Tables_number   1
_cell_volume   185.588
_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  0.812  0.621  0.754  1.0
  Ba  Ba1  1  0.188  0.379  0.246  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.000  0.000  1.0
  Nb  Nb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.720  0.311  0.249  1.0
  O  O6  1  0.280  0.689  0.751  1.0
  O  O7  1  0.266  0.252  0.767  1.0
  O  O8  1  0.285  0.748  0.233  1.0
  O  O9  1  0.734  0.748  0.233  1.0
  O  O10  1  0.715  0.252  0.767  1.0
[/CIF]
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