The compound described by Nb4MnO12 crystallizes in the triclinic P1 space group. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted NbO6 octahedra that share corners with two Nb(3,3)O6 octahedra; corners with four Nb(4,4)O6 octahedra; and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-54°. In the second Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted NbO6 octahedra that share corners with two Nb(3,3)O6 octahedra; corners with four Nb(4,4)O6 octahedra; and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-54°. In the third Nb site, Nb(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NbO6 octahedra that share corners with two Nb(4,4)O6 octahedra; corners with four Nb(3,3)O6 octahedra; and edges with two Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-52°. In the fourth Nb site, Nb(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NbO6 octahedra that share corners with two Nb(4,4)O6 octahedra; corners with four Nb(3,3)O6 octahedra; and edges with two Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-52°. In the fifth Nb site, Nb(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted NbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra; corners with two Nb(1,1)O6 octahedra; corners with four Nb(2,2)O6 octahedra; and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the sixth Nb site, Nb(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted NbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra; corners with two Nb(1,1)O6 octahedra; corners with four Nb(2,2)O6 octahedra; and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the seventh Nb site, Nb(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two Nb(2,2)O6 octahedra; corners with two Mn(1,1)O6 octahedra; and corners with four Nb(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. In the eighth Nb site, Nb(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two Nb(2,2)O6 octahedra; corners with two Mn(1,1)O6 octahedra; and corners with four Nb(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra; corners with two Nb(4,4)O6 octahedra;  an edgeedge with one Nb(1)O6 octahedra; edges with two Nb(2,2)O6 octahedra; and  a faceface with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mn site, Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra; corners with two Nb(4,4)O6 octahedra;  an edgeedge with one Nb(1)O6 octahedra; edges with two Nb(2,2)O6 octahedra; and  a faceface with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the second O site, O(1) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the ninth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the tenth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the eleventh O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the twelfth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the thirteenth O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Mn(1) atom. In the fourteenth O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Mn(1) atom. In the fifteenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Mn(1) atom. In the sixteenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Mn(1) atom. In the seventeenth O site, O(9) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the eighteenth O site, O(9) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the nineteenth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the twentieth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the twenty-first O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Mn(1) atom. In the twenty-second O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Mn(1) atom. In the twenty-third O site, O(12) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. In the twenty-fourth O site, O(12) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. is represented by the CIF card [CIF]
data_MnNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.641
_cell_length_c   7.737
_cell_angle_alpha   83.963
_cell_angle_beta   89.114
_cell_angle_gamma   89.586
_symmetry_Int_Tables_number   1
_cell_volume   224.464
_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
  Mn  Mn0  1  0.003  0.391  0.707  1.0
  Nb  Nb1  1  0.980  0.998  0.023  1.0
  Nb  Nb2  1  0.510  0.530  0.488  1.0
  Nb  Nb3  1  0.011  0.994  0.501  1.0
  Nb  Nb4  1  0.477  0.505  0.999  1.0
  O  O5  1  0.728  0.251  0.585  1.0
  O  O6  1  0.886  0.036  0.276  1.0
  O  O7  1  0.695  0.835  0.967  1.0
  O  O8  1  0.836  0.695  0.594  1.0
  O  O9  1  0.200  0.736  0.061  1.0
  O  O10  1  0.597  0.519  0.262  1.0
  O  O11  1  0.326  0.528  0.763  1.0
  O  O12  1  0.818  0.360  0.922  1.0
  O  O13  1  0.190  0.345  0.488  1.0
  O  O14  1  0.305  0.233  0.074  1.0
  O  O15  1  0.104  0.074  0.765  1.0
  O  O16  1  0.333  0.851  0.466  1.0
[/CIF]
.
The compound described by Nb4MnO12 crystallizes in the triclinic P1 space group. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted NbO6 octahedra that share corners with two Nb(3,3)O6 octahedra; corners with four Nb(4,4)O6 octahedra; and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-54°. In the second Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted NbO6 octahedra that share corners with two Nb(3,3)O6 octahedra; corners with four Nb(4,4)O6 octahedra; and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-54°. In the third Nb site, Nb(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NbO6 octahedra that share corners with two Nb(4,4)O6 octahedra; corners with four Nb(3,3)O6 octahedra; and edges with two Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-52°. In the fourth Nb site, Nb(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NbO6 octahedra that share corners with two Nb(4,4)O6 octahedra; corners with four Nb(3,3)O6 octahedra; and edges with two Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-52°. In the fifth Nb site, Nb(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted NbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra; corners with two Nb(1,1)O6 octahedra; corners with four Nb(2,2)O6 octahedra; and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the sixth Nb site, Nb(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted NbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra; corners with two Nb(1,1)O6 octahedra; corners with four Nb(2,2)O6 octahedra; and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the seventh Nb site, Nb(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two Nb(2,2)O6 octahedra; corners with two Mn(1,1)O6 octahedra; and corners with four Nb(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. In the eighth Nb site, Nb(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two Nb(2,2)O6 octahedra; corners with two Mn(1,1)O6 octahedra; and corners with four Nb(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra; corners with two Nb(4,4)O6 octahedra;  an edgeedge with one Nb(1)O6 octahedra; edges with two Nb(2,2)O6 octahedra; and  a faceface with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mn site, Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra; corners with two Nb(4,4)O6 octahedra;  an edgeedge with one Nb(1)O6 octahedra; edges with two Nb(2,2)O6 octahedra; and  a faceface with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the second O site, O(1) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(3) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the ninth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the tenth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the eleventh O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the twelfth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the thirteenth O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Mn(1) atom. In the fourteenth O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Mn(1) atom. In the fifteenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Mn(1) atom. In the sixteenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Mn(1) atom. In the seventeenth O site, O(9) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the eighteenth O site, O(9) is bonded in a distorted T-shaped geometry to one Nb(2), one Nb(3), and one Mn(1) atom. In the nineteenth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the twentieth O site, O(10) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the twenty-first O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Mn(1) atom. In the twenty-second O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Mn(1) atom. In the twenty-third O site, O(12) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. In the twenty-fourth O site, O(12) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. is represented by the CIF card [CIF]
data_MnNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.641
_cell_length_c   7.737
_cell_angle_alpha   83.963
_cell_angle_beta   89.114
_cell_angle_gamma   89.586
_symmetry_Int_Tables_number   1
_cell_volume   224.464
_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
  Mn  Mn0  1  0.003  0.391  0.707  1.0
  Nb  Nb1  1  0.980  0.998  0.023  1.0
  Nb  Nb2  1  0.510  0.530  0.488  1.0
  Nb  Nb3  1  0.011  0.994  0.501  1.0
  Nb  Nb4  1  0.477  0.505  0.999  1.0
  O  O5  1  0.728  0.251  0.585  1.0
  O  O6  1  0.886  0.036  0.276  1.0
  O  O7  1  0.695  0.835  0.967  1.0
  O  O8  1  0.836  0.695  0.594  1.0
  O  O9  1  0.200  0.736  0.061  1.0
  O  O10  1  0.597  0.519  0.262  1.0
  O  O11  1  0.326  0.528  0.763  1.0
  O  O12  1  0.818  0.360  0.922  1.0
  O  O13  1  0.190  0.345  0.488  1.0
  O  O14  1  0.305  0.233  0.074  1.0
  O  O15  1  0.104  0.074  0.765  1.0
  O  O16  1  0.333  0.851  0.466  1.0
[/CIF]
.