The crystal structure described by Mn2V2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(13), one O(2), one O(6), and one O(9) atom to form distorted VO5 trigonal bipyramids that share corners with three equivalent Mn(3)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. In the second V site, V(2) is bonded to one O(11), one O(12), one O(14), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a cornercorner with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-59°. In the third V site, V(3) is bonded to one O(10), one O(3), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, and  a cornercorner with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-63°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-62°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(13), one O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(5), one O(7), and two equivalent O(12) atoms to form distorted MnO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with three equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(14), one O(2), one O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with three equivalent V(3)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(4), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a linear geometry to one V(3) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(3), and one Mn(4) 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 Mn(2) atom. In the sixth O site, O(6) is bonded to one V(1), one V(3), and two equivalent Mn(4) atoms to form distorted edge-sharing OMn2V2 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(4), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(2), and one Mn(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Mn(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one Mn(4) atom. is represented by the CIF card [CIF]
data_Mn2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   8.110
_cell_length_c   11.051
_cell_angle_alpha   86.943
_cell_angle_beta   71.525
_cell_angle_gamma   83.684
_symmetry_Int_Tables_number   1
_cell_volume   591.961
_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
  Mn  Mn0  1  0.082  0.139  0.078  1.0
  Mn  Mn1  1  0.584  0.595  0.096  1.0
  Mn  Mn2  1  0.404  0.406  0.406  1.0
  Mn  Mn3  1  0.918  0.861  0.922  1.0
  Mn  Mn4  1  0.596  0.594  0.594  1.0
  Mn  Mn5  1  0.899  0.885  0.415  1.0
  Mn  Mn6  1  0.101  0.115  0.585  1.0
  Mn  Mn7  1  0.416  0.405  0.904  1.0
  V  V8  1  0.075  0.718  0.636  1.0
  V  V9  1  0.053  0.596  0.150  1.0
  V  V10  1  0.568  0.172  0.631  1.0
  V  V11  1  0.925  0.282  0.364  1.0
  V  V12  1  0.947  0.404  0.850  1.0
  V  V13  1  0.432  0.828  0.369  1.0
  V  V14  1  0.565  0.149  0.129  1.0
  V  V15  1  0.435  0.851  0.871  1.0
  O  O16  1  0.604  0.819  0.957  1.0
  O  O17  1  0.878  0.694  0.577  1.0
  O  O18  1  0.512  0.017  0.753  1.0
  O  O19  1  0.600  0.817  0.455  1.0
  O  O20  1  0.121  0.331  0.929  1.0
  O  O21  1  0.122  0.306  0.423  1.0
  O  O22  1  0.180  0.889  0.467  1.0
  O  O23  1  0.448  0.676  0.786  1.0
  O  O24  1  0.188  0.914  0.964  1.0
  O  O25  1  0.302  0.594  0.560  1.0
  O  O26  1  0.698  0.406  0.440  1.0
  O  O27  1  0.820  0.111  0.533  1.0
  O  O28  1  0.546  0.357  0.707  1.0
  O  O29  1  0.002  0.388  0.206  1.0
  O  O30  1  0.307  0.579  0.054  1.0
  O  O31  1  0.054  0.907  0.715  1.0
  O  O32  1  0.027  0.714  0.276  1.0
  O  O33  1  0.812  0.086  0.036  1.0
  O  O34  1  0.396  0.181  0.043  1.0
  O  O35  1  0.552  0.324  0.214  1.0
  O  O36  1  0.946  0.093  0.285  1.0
  O  O37  1  0.454  0.643  0.293  1.0
  O  O38  1  0.400  0.183  0.545  1.0
  O  O39  1  0.488  0.983  0.247  1.0
  O  O40  1  0.973  0.286  0.724  1.0
  O  O41  1  0.998  0.612  0.794  1.0
  O  O42  1  0.693  0.421  0.946  1.0
  O  O43  1  0.879  0.669  0.071  1.0
[/CIF]
.
The crystal structure described by Mn2V2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(13), one O(2), one O(6), and one O(9) atom to form distorted VO5 trigonal bipyramids that share corners with three equivalent Mn(3)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. In the second V site, V(2) is bonded to one O(11), one O(12), one O(14), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a cornercorner with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-59°. In the third V site, V(3) is bonded to one O(10), one O(3), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, and  a cornercorner with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-63°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-62°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(13), one O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(5), one O(7), and two equivalent O(12) atoms to form distorted MnO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with three equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(14), one O(2), one O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with three equivalent V(3)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(4), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a linear geometry to one V(3) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(3), and one Mn(4) 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 Mn(2) atom. In the sixth O site, O(6) is bonded to one V(1), one V(3), and two equivalent Mn(4) atoms to form distorted edge-sharing OMn2V2 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(4), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(2), and one Mn(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Mn(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one Mn(4) atom. is represented by the CIF card [CIF]
data_Mn2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   8.110
_cell_length_c   11.051
_cell_angle_alpha   86.943
_cell_angle_beta   71.525
_cell_angle_gamma   83.684
_symmetry_Int_Tables_number   1
_cell_volume   591.961
_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
  Mn  Mn0  1  0.082  0.139  0.078  1.0
  Mn  Mn1  1  0.584  0.595  0.096  1.0
  Mn  Mn2  1  0.404  0.406  0.406  1.0
  Mn  Mn3  1  0.918  0.861  0.922  1.0
  Mn  Mn4  1  0.596  0.594  0.594  1.0
  Mn  Mn5  1  0.899  0.885  0.415  1.0
  Mn  Mn6  1  0.101  0.115  0.585  1.0
  Mn  Mn7  1  0.416  0.405  0.904  1.0
  V  V8  1  0.075  0.718  0.636  1.0
  V  V9  1  0.053  0.596  0.150  1.0
  V  V10  1  0.568  0.172  0.631  1.0
  V  V11  1  0.925  0.282  0.364  1.0
  V  V12  1  0.947  0.404  0.850  1.0
  V  V13  1  0.432  0.828  0.369  1.0
  V  V14  1  0.565  0.149  0.129  1.0
  V  V15  1  0.435  0.851  0.871  1.0
  O  O16  1  0.604  0.819  0.957  1.0
  O  O17  1  0.878  0.694  0.577  1.0
  O  O18  1  0.512  0.017  0.753  1.0
  O  O19  1  0.600  0.817  0.455  1.0
  O  O20  1  0.121  0.331  0.929  1.0
  O  O21  1  0.122  0.306  0.423  1.0
  O  O22  1  0.180  0.889  0.467  1.0
  O  O23  1  0.448  0.676  0.786  1.0
  O  O24  1  0.188  0.914  0.964  1.0
  O  O25  1  0.302  0.594  0.560  1.0
  O  O26  1  0.698  0.406  0.440  1.0
  O  O27  1  0.820  0.111  0.533  1.0
  O  O28  1  0.546  0.357  0.707  1.0
  O  O29  1  0.002  0.388  0.206  1.0
  O  O30  1  0.307  0.579  0.054  1.0
  O  O31  1  0.054  0.907  0.715  1.0
  O  O32  1  0.027  0.714  0.276  1.0
  O  O33  1  0.812  0.086  0.036  1.0
  O  O34  1  0.396  0.181  0.043  1.0
  O  O35  1  0.552  0.324  0.214  1.0
  O  O36  1  0.946  0.093  0.285  1.0
  O  O37  1  0.454  0.643  0.293  1.0
  O  O38  1  0.400  0.183  0.545  1.0
  O  O39  1  0.488  0.983  0.247  1.0
  O  O40  1  0.973  0.286  0.724  1.0
  O  O41  1  0.998  0.612  0.794  1.0
  O  O42  1  0.693  0.421  0.946  1.0
  O  O43  1  0.879  0.669  0.071  1.0
[/CIF]
.