The compound described by Ba2MgLaNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), and six equivalent O(2) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. 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 La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one La(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ba(1), one Mg(1), one La(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LaMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   6.472
_cell_angle_alpha   86.743
_cell_angle_beta   120.764
_cell_angle_gamma   122.925
_symmetry_Int_Tables_number   1
_cell_volume   184.701
_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  0.998  0.815  0.813  1.0
  Ba  Ba1  1  0.002  0.185  0.187  1.0
  La  La2  1  0.500  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Nb  Nb4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.436  0.286  0.723  1.0
  O  O6  1  0.564  0.714  0.277  1.0
  O  O7  1  0.020  0.315  0.776  1.0
  O  O8  1  0.539  0.244  0.224  1.0
  O  O9  1  0.980  0.685  0.224  1.0
  O  O10  1  0.461  0.756  0.776  1.0
[/CIF]
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The compound described by Ba2MgLaNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), and six equivalent O(2) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. 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 La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one La(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ba(1), one Mg(1), one La(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LaMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   6.472
_cell_angle_alpha   86.743
_cell_angle_beta   120.764
_cell_angle_gamma   122.925
_symmetry_Int_Tables_number   1
_cell_volume   184.701
_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  0.998  0.815  0.813  1.0
  Ba  Ba1  1  0.002  0.185  0.187  1.0
  La  La2  1  0.500  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Nb  Nb4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.436  0.286  0.723  1.0
  O  O6  1  0.564  0.714  0.277  1.0
  O  O7  1  0.020  0.315  0.776  1.0
  O  O8  1  0.539  0.244  0.224  1.0
  O  O9  1  0.980  0.685  0.224  1.0
  O  O10  1  0.461  0.756  0.776  1.0
[/CIF]
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