The material described by Nb4MnFeO12 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Mn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Mn(1), and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(2), one Mn(1), and one Fe(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Nb(2) atoms. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_MnNb4FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   5.878
_cell_length_c   14.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.486
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.500  0.078  0.000  1.0
  Mn  Mn1  1  0.000  0.922  0.500  1.0
  Nb  Nb2  1  0.005  0.430  0.662  1.0
  Nb  Nb3  1  0.505  0.570  0.838  1.0
  Nb  Nb4  1  0.495  0.570  0.162  1.0
  Nb  Nb5  1  0.995  0.430  0.338  1.0
  Nb  Nb6  1  0.493  0.069  0.338  1.0
  Nb  Nb7  1  0.993  0.931  0.162  1.0
  Nb  Nb8  1  0.007  0.931  0.838  1.0
  Nb  Nb9  1  0.507  0.069  0.662  1.0
  Fe  Fe10  1  0.000  0.421  0.000  1.0
  Fe  Fe11  1  0.500  0.579  0.500  1.0
  O  O12  1  0.156  0.630  0.581  1.0
  O  O13  1  0.656  0.370  0.919  1.0
  O  O14  1  0.344  0.370  0.081  1.0
  O  O15  1  0.844  0.630  0.419  1.0
  O  O16  1  0.348  0.868  0.420  1.0
  O  O17  1  0.848  0.132  0.080  1.0
  O  O18  1  0.152  0.132  0.920  1.0
  O  O19  1  0.652  0.868  0.580  1.0
  O  O20  1  0.165  0.623  0.245  1.0
  O  O21  1  0.665  0.377  0.255  1.0
  O  O22  1  0.335  0.377  0.745  1.0
  O  O23  1  0.835  0.623  0.755  1.0
  O  O24  1  0.335  0.877  0.755  1.0
  O  O25  1  0.835  0.123  0.745  1.0
  O  O26  1  0.165  0.123  0.255  1.0
  O  O27  1  0.665  0.877  0.245  1.0
  O  O28  1  0.183  0.648  0.902  1.0
  O  O29  1  0.683  0.352  0.598  1.0
  O  O30  1  0.317  0.352  0.402  1.0
  O  O31  1  0.817  0.648  0.098  1.0
  O  O32  1  0.315  0.853  0.099  1.0
  O  O33  1  0.815  0.147  0.401  1.0
  O  O34  1  0.185  0.147  0.599  1.0
  O  O35  1  0.685  0.853  0.901  1.0
[/CIF]
.
The material described by Nb4MnFeO12 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Mn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Mn(1), and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(2), one Mn(1), and one Fe(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Nb(2) atoms. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_MnNb4FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   5.878
_cell_length_c   14.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.486
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.500  0.078  0.000  1.0
  Mn  Mn1  1  0.000  0.922  0.500  1.0
  Nb  Nb2  1  0.005  0.430  0.662  1.0
  Nb  Nb3  1  0.505  0.570  0.838  1.0
  Nb  Nb4  1  0.495  0.570  0.162  1.0
  Nb  Nb5  1  0.995  0.430  0.338  1.0
  Nb  Nb6  1  0.493  0.069  0.338  1.0
  Nb  Nb7  1  0.993  0.931  0.162  1.0
  Nb  Nb8  1  0.007  0.931  0.838  1.0
  Nb  Nb9  1  0.507  0.069  0.662  1.0
  Fe  Fe10  1  0.000  0.421  0.000  1.0
  Fe  Fe11  1  0.500  0.579  0.500  1.0
  O  O12  1  0.156  0.630  0.581  1.0
  O  O13  1  0.656  0.370  0.919  1.0
  O  O14  1  0.344  0.370  0.081  1.0
  O  O15  1  0.844  0.630  0.419  1.0
  O  O16  1  0.348  0.868  0.420  1.0
  O  O17  1  0.848  0.132  0.080  1.0
  O  O18  1  0.152  0.132  0.920  1.0
  O  O19  1  0.652  0.868  0.580  1.0
  O  O20  1  0.165  0.623  0.245  1.0
  O  O21  1  0.665  0.377  0.255  1.0
  O  O22  1  0.335  0.377  0.745  1.0
  O  O23  1  0.835  0.623  0.755  1.0
  O  O24  1  0.335  0.877  0.755  1.0
  O  O25  1  0.835  0.123  0.745  1.0
  O  O26  1  0.165  0.123  0.255  1.0
  O  O27  1  0.665  0.877  0.245  1.0
  O  O28  1  0.183  0.648  0.902  1.0
  O  O29  1  0.683  0.352  0.598  1.0
  O  O30  1  0.317  0.352  0.402  1.0
  O  O31  1  0.817  0.648  0.098  1.0
  O  O32  1  0.315  0.853  0.099  1.0
  O  O33  1  0.815  0.147  0.401  1.0
  O  O34  1  0.185  0.147  0.599  1.0
  O  O35  1  0.685  0.853  0.901  1.0
[/CIF]
.