The structure described by Ba2NbMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nb(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Nb(1), and one Mn(1) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Nb(1), and one Mn(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4MnNb octahedra. The corner-sharing octahedral tilt angles range from 2-66°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Nb(1), and one Mn(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4MnNb octahedra. The corner-sharing octahedral tilt angles range from 2-66°. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1), one Nb(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba2MnNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   11.771
_cell_length_c   8.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.037
_symmetry_Int_Tables_number   1
_cell_volume   562.143
_cell_formula_units_Z   4
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  0.010  0.500  0.000  1.0
  Ba  Ba1  1  0.489  0.750  0.500  1.0
  Ba  Ba2  1  0.990  1.000  0.000  1.0
  Ba  Ba3  1  0.511  0.250  0.500  1.0
  Ba  Ba4  1  0.010  0.500  0.500  1.0
  Ba  Ba5  1  0.489  0.750  1.000  1.0
  Ba  Ba6  1  0.990  1.000  0.500  1.0
  Ba  Ba7  1  0.511  0.250  1.000  1.0
  Mn  Mn8  1  0.510  0.499  0.750  1.0
  Mn  Mn9  1  0.989  0.751  0.250  1.0
  Mn  Mn10  1  0.490  0.999  0.750  1.0
  Mn  Mn11  1  0.011  0.251  0.250  1.0
  Nb  Nb12  1  0.513  0.500  0.250  1.0
  Nb  Nb13  1  0.987  0.750  0.750  1.0
  Nb  Nb14  1  0.487  0.000  0.250  1.0
  Nb  Nb15  1  0.014  0.250  0.750  1.0
  O  O16  1  0.291  0.378  0.250  1.0
  O  O17  1  0.731  0.626  0.750  1.0
  O  O18  1  0.222  0.874  0.250  1.0
  O  O19  1  0.783  0.132  0.750  1.0
  O  O20  1  0.769  0.624  0.250  1.0
  O  O21  1  0.209  0.872  0.750  1.0
  O  O22  1  0.718  0.118  0.250  1.0
  O  O23  1  0.277  0.375  0.750  1.0
  O  O24  1  0.518  0.499  0.503  1.0
  O  O25  1  0.982  0.751  0.003  1.0
  O  O26  1  0.482  0.999  0.503  1.0
  O  O27  1  0.018  0.251  0.003  1.0
  O  O28  1  0.518  0.499  0.997  1.0
  O  O29  1  0.982  0.751  0.497  1.0
  O  O30  1  0.482  0.999  0.997  1.0
  O  O31  1  0.018  0.251  0.497  1.0
  O  O32  1  0.778  0.375  0.250  1.0
  O  O33  1  0.217  0.632  0.750  1.0
  O  O34  1  0.709  0.879  0.250  1.0
  O  O35  1  0.269  0.126  0.750  1.0
  O  O36  1  0.282  0.618  0.250  1.0
  O  O37  1  0.723  0.875  0.750  1.0
  O  O38  1  0.231  0.124  0.250  1.0
  O  O39  1  0.791  0.371  0.750  1.0
[/CIF]
.
The structure described by Ba2NbMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nb(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Nb(1), and one Mn(1) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Nb(1), and one Mn(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4MnNb octahedra. The corner-sharing octahedral tilt angles range from 2-66°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Nb(1), and one Mn(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4MnNb octahedra. The corner-sharing octahedral tilt angles range from 2-66°. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1), one Nb(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba2MnNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   11.771
_cell_length_c   8.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.037
_symmetry_Int_Tables_number   1
_cell_volume   562.143
_cell_formula_units_Z   4
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  0.010  0.500  0.000  1.0
  Ba  Ba1  1  0.489  0.750  0.500  1.0
  Ba  Ba2  1  0.990  1.000  0.000  1.0
  Ba  Ba3  1  0.511  0.250  0.500  1.0
  Ba  Ba4  1  0.010  0.500  0.500  1.0
  Ba  Ba5  1  0.489  0.750  1.000  1.0
  Ba  Ba6  1  0.990  1.000  0.500  1.0
  Ba  Ba7  1  0.511  0.250  1.000  1.0
  Mn  Mn8  1  0.510  0.499  0.750  1.0
  Mn  Mn9  1  0.989  0.751  0.250  1.0
  Mn  Mn10  1  0.490  0.999  0.750  1.0
  Mn  Mn11  1  0.011  0.251  0.250  1.0
  Nb  Nb12  1  0.513  0.500  0.250  1.0
  Nb  Nb13  1  0.987  0.750  0.750  1.0
  Nb  Nb14  1  0.487  0.000  0.250  1.0
  Nb  Nb15  1  0.014  0.250  0.750  1.0
  O  O16  1  0.291  0.378  0.250  1.0
  O  O17  1  0.731  0.626  0.750  1.0
  O  O18  1  0.222  0.874  0.250  1.0
  O  O19  1  0.783  0.132  0.750  1.0
  O  O20  1  0.769  0.624  0.250  1.0
  O  O21  1  0.209  0.872  0.750  1.0
  O  O22  1  0.718  0.118  0.250  1.0
  O  O23  1  0.277  0.375  0.750  1.0
  O  O24  1  0.518  0.499  0.503  1.0
  O  O25  1  0.982  0.751  0.003  1.0
  O  O26  1  0.482  0.999  0.503  1.0
  O  O27  1  0.018  0.251  0.003  1.0
  O  O28  1  0.518  0.499  0.997  1.0
  O  O29  1  0.982  0.751  0.497  1.0
  O  O30  1  0.482  0.999  0.997  1.0
  O  O31  1  0.018  0.251  0.497  1.0
  O  O32  1  0.778  0.375  0.250  1.0
  O  O33  1  0.217  0.632  0.750  1.0
  O  O34  1  0.709  0.879  0.250  1.0
  O  O35  1  0.269  0.126  0.750  1.0
  O  O36  1  0.282  0.618  0.250  1.0
  O  O37  1  0.723  0.875  0.750  1.0
  O  O38  1  0.231  0.124  0.250  1.0
  O  O39  1  0.791  0.371  0.750  1.0
[/CIF]
.