The structure described by Ba2NbMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Nb(1)O6 octahedra, faces with two equivalent Nb(2)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Nb(1)O6 octahedra, faces with two equivalent Nb(2)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Nb site, Nb(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Nb(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(2), one Nb(2), and one Mn(2) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Nb(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OBa4MnNb octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to four equivalent Ba(2), one Nb(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OBa4MnNb octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(2), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Ba2MnNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   10.114
_cell_length_c   8.249
_cell_angle_alpha   65.935
_cell_angle_beta   90.000
_cell_angle_gamma   66.183
_symmetry_Int_Tables_number   1
_cell_volume   558.090
_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  0.250  0.500  0.749  1.0
  Ba  Ba1  1  0.501  0.000  0.500  1.0
  Ba  Ba2  1  0.750  0.500  0.251  1.0
  Ba  Ba3  1  0.999  1.000  0.000  1.0
  Ba  Ba4  1  0.750  0.500  0.749  1.0
  Ba  Ba5  1  0.999  0.000  0.500  1.0
  Ba  Ba6  1  0.250  0.500  0.251  1.0
  Ba  Ba7  1  0.501  1.000  1.000  1.0
  Mn  Mn8  1  0.125  0.250  0.125  1.0
  Mn  Mn9  1  0.375  0.750  0.875  1.0
  Mn  Mn10  1  0.875  0.750  0.375  1.0
  Mn  Mn11  1  0.625  0.250  0.625  1.0
  Nb  Nb12  1  0.376  0.748  0.376  1.0
  Nb  Nb13  1  0.626  0.248  0.126  1.0
  Nb  Nb14  1  0.874  0.752  0.874  1.0
  Nb  Nb15  1  0.124  0.252  0.624  1.0
  O  O16  1  0.505  0.490  0.505  1.0
  O  O17  1  0.755  0.989  0.255  1.0
  O  O18  1  0.991  0.517  0.991  1.0
  O  O19  1  0.241  0.017  0.741  1.0
  O  O20  1  0.259  0.983  0.259  1.0
  O  O21  1  0.509  0.483  0.008  1.0
  O  O22  1  0.745  0.011  0.745  1.0
  O  O23  1  0.995  0.510  0.495  1.0
  O  O24  1  0.623  0.743  0.378  1.0
  O  O25  1  0.882  0.245  0.128  1.0
  O  O26  1  0.127  0.755  0.872  1.0
  O  O27  1  0.366  0.257  0.621  1.0
  O  O28  1  0.134  0.743  0.378  1.0
  O  O29  1  0.373  0.245  0.128  1.0
  O  O30  1  0.618  0.755  0.872  1.0
  O  O31  1  0.877  0.257  0.622  1.0
  O  O32  1  0.378  0.745  0.126  1.0
  O  O33  1  0.629  0.243  0.888  1.0
  O  O34  1  0.871  0.757  0.631  1.0
  O  O35  1  0.122  0.255  0.371  1.0
  O  O36  1  0.378  0.745  0.629  1.0
  O  O37  1  0.629  0.243  0.369  1.0
  O  O38  1  0.871  0.757  0.112  1.0
  O  O39  1  0.122  0.256  0.874  1.0
[/CIF]
.
The structure described by Ba2NbMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Nb(1)O6 octahedra, faces with two equivalent Nb(2)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Nb(1)O6 octahedra, faces with two equivalent Nb(2)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Nb site, Nb(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Nb(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(2), one Nb(2), and one Mn(2) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Nb(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OBa4MnNb octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to four equivalent Ba(2), one Nb(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OBa4MnNb octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Nb(2), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Ba2MnNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   10.114
_cell_length_c   8.249
_cell_angle_alpha   65.935
_cell_angle_beta   90.000
_cell_angle_gamma   66.183
_symmetry_Int_Tables_number   1
_cell_volume   558.090
_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  0.250  0.500  0.749  1.0
  Ba  Ba1  1  0.501  0.000  0.500  1.0
  Ba  Ba2  1  0.750  0.500  0.251  1.0
  Ba  Ba3  1  0.999  1.000  0.000  1.0
  Ba  Ba4  1  0.750  0.500  0.749  1.0
  Ba  Ba5  1  0.999  0.000  0.500  1.0
  Ba  Ba6  1  0.250  0.500  0.251  1.0
  Ba  Ba7  1  0.501  1.000  1.000  1.0
  Mn  Mn8  1  0.125  0.250  0.125  1.0
  Mn  Mn9  1  0.375  0.750  0.875  1.0
  Mn  Mn10  1  0.875  0.750  0.375  1.0
  Mn  Mn11  1  0.625  0.250  0.625  1.0
  Nb  Nb12  1  0.376  0.748  0.376  1.0
  Nb  Nb13  1  0.626  0.248  0.126  1.0
  Nb  Nb14  1  0.874  0.752  0.874  1.0
  Nb  Nb15  1  0.124  0.252  0.624  1.0
  O  O16  1  0.505  0.490  0.505  1.0
  O  O17  1  0.755  0.989  0.255  1.0
  O  O18  1  0.991  0.517  0.991  1.0
  O  O19  1  0.241  0.017  0.741  1.0
  O  O20  1  0.259  0.983  0.259  1.0
  O  O21  1  0.509  0.483  0.008  1.0
  O  O22  1  0.745  0.011  0.745  1.0
  O  O23  1  0.995  0.510  0.495  1.0
  O  O24  1  0.623  0.743  0.378  1.0
  O  O25  1  0.882  0.245  0.128  1.0
  O  O26  1  0.127  0.755  0.872  1.0
  O  O27  1  0.366  0.257  0.621  1.0
  O  O28  1  0.134  0.743  0.378  1.0
  O  O29  1  0.373  0.245  0.128  1.0
  O  O30  1  0.618  0.755  0.872  1.0
  O  O31  1  0.877  0.257  0.622  1.0
  O  O32  1  0.378  0.745  0.126  1.0
  O  O33  1  0.629  0.243  0.888  1.0
  O  O34  1  0.871  0.757  0.631  1.0
  O  O35  1  0.122  0.255  0.371  1.0
  O  O36  1  0.378  0.745  0.629  1.0
  O  O37  1  0.629  0.243  0.369  1.0
  O  O38  1  0.871  0.757  0.112  1.0
  O  O39  1  0.122  0.256  0.874  1.0
[/CIF]
.