The crystal structure described by Mn(Nb0.5Ta0.5)2O6 crystallizes in the orthorhombic P2_12_12 space group. Ta(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal planar geometry to one Ta(1), one Nb(1), and one Mn(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Nb(1) atoms. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Nb(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Ta(1), one Nb(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaMnNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.867
_cell_length_c   14.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.676
_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
  Ta  Ta0  1  0.014  0.073  0.163  1.0
  Ta  Ta1  1  0.514  0.927  0.337  1.0
  Ta  Ta2  1  0.486  0.927  0.663  1.0
  Ta  Ta3  1  0.986  0.073  0.837  1.0
  Mn  Mn4  1  0.000  0.578  0.000  1.0
  Mn  Mn5  1  0.500  0.422  0.500  1.0
  Mn  Mn6  1  0.500  0.928  0.000  1.0
  Mn  Mn7  1  0.000  0.072  0.500  1.0
  Nb  Nb8  1  0.487  0.430  0.838  1.0
  Nb  Nb9  1  0.987  0.570  0.662  1.0
  Nb  Nb10  1  0.013  0.570  0.338  1.0
  Nb  Nb11  1  0.513  0.430  0.162  1.0
  O  O12  1  0.656  0.623  0.744  1.0
  O  O13  1  0.156  0.377  0.756  1.0
  O  O14  1  0.844  0.377  0.244  1.0
  O  O15  1  0.344  0.623  0.256  1.0
  O  O16  1  0.838  0.882  0.255  1.0
  O  O17  1  0.338  0.118  0.245  1.0
  O  O18  1  0.662  0.118  0.755  1.0
  O  O19  1  0.162  0.882  0.745  1.0
  O  O20  1  0.346  0.633  0.919  1.0
  O  O21  1  0.846  0.367  0.581  1.0
  O  O22  1  0.154  0.367  0.419  1.0
  O  O23  1  0.654  0.633  0.081  1.0
  O  O24  1  0.153  0.867  0.082  1.0
  O  O25  1  0.653  0.133  0.418  1.0
  O  O26  1  0.347  0.133  0.582  1.0
  O  O27  1  0.847  0.867  0.918  1.0
  O  O28  1  0.810  0.348  0.901  1.0
  O  O29  1  0.310  0.652  0.599  1.0
  O  O30  1  0.690  0.652  0.401  1.0
  O  O31  1  0.190  0.348  0.099  1.0
  O  O32  1  0.693  0.150  0.099  1.0
  O  O33  1  0.193  0.850  0.401  1.0
  O  O34  1  0.807  0.850  0.599  1.0
  O  O35  1  0.307  0.150  0.901  1.0
[/CIF]
.
The crystal structure described by Mn(Nb0.5Ta0.5)2O6 crystallizes in the orthorhombic P2_12_12 space group. Ta(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal planar geometry to one Ta(1), one Nb(1), and one Mn(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Nb(1) atoms. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Nb(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Ta(1), one Nb(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaMnNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   5.867
_cell_length_c   14.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.676
_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
  Ta  Ta0  1  0.014  0.073  0.163  1.0
  Ta  Ta1  1  0.514  0.927  0.337  1.0
  Ta  Ta2  1  0.486  0.927  0.663  1.0
  Ta  Ta3  1  0.986  0.073  0.837  1.0
  Mn  Mn4  1  0.000  0.578  0.000  1.0
  Mn  Mn5  1  0.500  0.422  0.500  1.0
  Mn  Mn6  1  0.500  0.928  0.000  1.0
  Mn  Mn7  1  0.000  0.072  0.500  1.0
  Nb  Nb8  1  0.487  0.430  0.838  1.0
  Nb  Nb9  1  0.987  0.570  0.662  1.0
  Nb  Nb10  1  0.013  0.570  0.338  1.0
  Nb  Nb11  1  0.513  0.430  0.162  1.0
  O  O12  1  0.656  0.623  0.744  1.0
  O  O13  1  0.156  0.377  0.756  1.0
  O  O14  1  0.844  0.377  0.244  1.0
  O  O15  1  0.344  0.623  0.256  1.0
  O  O16  1  0.838  0.882  0.255  1.0
  O  O17  1  0.338  0.118  0.245  1.0
  O  O18  1  0.662  0.118  0.755  1.0
  O  O19  1  0.162  0.882  0.745  1.0
  O  O20  1  0.346  0.633  0.919  1.0
  O  O21  1  0.846  0.367  0.581  1.0
  O  O22  1  0.154  0.367  0.419  1.0
  O  O23  1  0.654  0.633  0.081  1.0
  O  O24  1  0.153  0.867  0.082  1.0
  O  O25  1  0.653  0.133  0.418  1.0
  O  O26  1  0.347  0.133  0.582  1.0
  O  O27  1  0.847  0.867  0.918  1.0
  O  O28  1  0.810  0.348  0.901  1.0
  O  O29  1  0.310  0.652  0.599  1.0
  O  O30  1  0.690  0.652  0.401  1.0
  O  O31  1  0.190  0.348  0.099  1.0
  O  O32  1  0.693  0.150  0.099  1.0
  O  O33  1  0.193  0.850  0.401  1.0
  O  O34  1  0.807  0.850  0.599  1.0
  O  O35  1  0.307  0.150  0.901  1.0
[/CIF]
.