The material described by Mn3Fe4(VO4)6 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(4), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-57°. In the second V site, V(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-66°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-61°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(5), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Mn site, Mn(2) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(6), one O(9), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one Mn(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3V6(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   8.310
_cell_length_c   10.011
_cell_angle_alpha   105.879
_cell_angle_beta   105.484
_cell_angle_gamma   102.767
_symmetry_Int_Tables_number   1
_cell_volume   496.442
_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  0.783  0.796  0.297  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.217  0.204  0.703  1.0
  V  V3  1  0.609  0.598  0.834  1.0
  V  V4  1  0.900  0.235  0.368  1.0
  V  V5  1  0.100  0.765  0.632  1.0
  V  V6  1  0.719  0.158  0.766  1.0
  V  V7  1  0.281  0.842  0.234  1.0
  V  V8  1  0.391  0.402  0.166  1.0
  Fe  Fe9  1  0.543  0.706  0.518  1.0
  Fe  Fe10  1  0.123  0.546  0.896  1.0
  Fe  Fe11  1  0.457  0.294  0.482  1.0
  Fe  Fe12  1  0.877  0.454  0.104  1.0
  O  O13  1  0.029  0.724  0.230  1.0
  O  O14  1  0.064  0.636  0.738  1.0
  O  O15  1  0.321  0.059  0.318  1.0
  O  O16  1  0.936  0.364  0.262  1.0
  O  O17  1  0.639  0.811  0.917  1.0
  O  O18  1  0.151  0.250  0.497  1.0
  O  O19  1  0.679  0.941  0.682  1.0
  O  O20  1  0.971  0.276  0.770  1.0
  O  O21  1  0.710  0.203  0.949  1.0
  O  O22  1  0.514  0.218  0.659  1.0
  O  O23  1  0.262  0.705  0.535  1.0
  O  O24  1  0.486  0.782  0.341  1.0
  O  O25  1  0.374  0.477  0.849  1.0
  O  O26  1  0.738  0.295  0.465  1.0
  O  O27  1  0.424  0.446  0.356  1.0
  O  O28  1  0.626  0.523  0.151  1.0
  O  O29  1  0.849  0.750  0.503  1.0
  O  O30  1  0.290  0.797  0.051  1.0
  O  O31  1  0.235  0.980  0.756  1.0
  O  O32  1  0.361  0.189  0.083  1.0
  O  O33  1  0.576  0.554  0.644  1.0
  O  O34  1  0.835  0.540  0.926  1.0
  O  O35  1  0.765  0.020  0.244  1.0
  O  O36  1  0.165  0.460  0.074  1.0
[/CIF]
.
The material described by Mn3Fe4(VO4)6 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(4), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-57°. In the second V site, V(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-66°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-61°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(5), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second Mn site, Mn(2) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(6), one O(9), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one Mn(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3V6(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   8.310
_cell_length_c   10.011
_cell_angle_alpha   105.879
_cell_angle_beta   105.484
_cell_angle_gamma   102.767
_symmetry_Int_Tables_number   1
_cell_volume   496.442
_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  0.783  0.796  0.297  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.217  0.204  0.703  1.0
  V  V3  1  0.609  0.598  0.834  1.0
  V  V4  1  0.900  0.235  0.368  1.0
  V  V5  1  0.100  0.765  0.632  1.0
  V  V6  1  0.719  0.158  0.766  1.0
  V  V7  1  0.281  0.842  0.234  1.0
  V  V8  1  0.391  0.402  0.166  1.0
  Fe  Fe9  1  0.543  0.706  0.518  1.0
  Fe  Fe10  1  0.123  0.546  0.896  1.0
  Fe  Fe11  1  0.457  0.294  0.482  1.0
  Fe  Fe12  1  0.877  0.454  0.104  1.0
  O  O13  1  0.029  0.724  0.230  1.0
  O  O14  1  0.064  0.636  0.738  1.0
  O  O15  1  0.321  0.059  0.318  1.0
  O  O16  1  0.936  0.364  0.262  1.0
  O  O17  1  0.639  0.811  0.917  1.0
  O  O18  1  0.151  0.250  0.497  1.0
  O  O19  1  0.679  0.941  0.682  1.0
  O  O20  1  0.971  0.276  0.770  1.0
  O  O21  1  0.710  0.203  0.949  1.0
  O  O22  1  0.514  0.218  0.659  1.0
  O  O23  1  0.262  0.705  0.535  1.0
  O  O24  1  0.486  0.782  0.341  1.0
  O  O25  1  0.374  0.477  0.849  1.0
  O  O26  1  0.738  0.295  0.465  1.0
  O  O27  1  0.424  0.446  0.356  1.0
  O  O28  1  0.626  0.523  0.151  1.0
  O  O29  1  0.849  0.750  0.503  1.0
  O  O30  1  0.290  0.797  0.051  1.0
  O  O31  1  0.235  0.980  0.756  1.0
  O  O32  1  0.361  0.189  0.083  1.0
  O  O33  1  0.576  0.554  0.644  1.0
  O  O34  1  0.835  0.540  0.926  1.0
  O  O35  1  0.765  0.020  0.244  1.0
  O  O36  1  0.165  0.460  0.074  1.0
[/CIF]
.