The material structure described by V3Mn2NiO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Mn(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Mn(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Mn(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(4), one V(5), one V(6), and one Mn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(5), one V(6), one Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(3), one Mn(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one V(4), one V(6), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni trigonal pyramids. In the sixth O site, O(6) is bonded to one V(1), one V(3), one Mn(2), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni trigonal pyramids. In the seventh O site, O(7) is bonded to one V(4), one V(5), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni tetrahedra. In the eighth O site, O(8) is bonded to one V(1), one V(2), one Mn(2), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni tetrahedra. is represented by the CIF file [CIF]
data_Mn2V3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.076
_cell_length_c   6.099
_cell_angle_alpha   60.737
_cell_angle_beta   60.903
_cell_angle_gamma   91.170
_symmetry_Int_Tables_number   1
_cell_volume   161.154
_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  0.758  0.255  0.491  1.0
  Mn  Mn1  1  0.991  0.994  0.009  1.0
  Ni  Ni2  1  0.375  0.125  0.250  1.0
  O  O3  1  0.126  0.409  0.732  1.0
  O  O4  1  0.624  0.841  0.768  1.0
  O  O5  1  0.116  0.851  0.736  1.0
  O  O6  1  0.124  0.841  0.290  1.0
  O  O7  1  0.581  0.854  0.290  1.0
  O  O8  1  0.635  0.400  0.764  1.0
  O  O9  1  0.626  0.409  0.210  1.0
  O  O10  1  0.169  0.396  0.210  1.0
  V  V11  1  0.375  0.625  0.250  1.0
  V  V12  1  0.375  0.625  0.750  1.0
  V  V13  1  0.875  0.625  0.750  1.0
[/CIF]
.
The material structure described by V3Mn2NiO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Mn(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Mn(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Mn(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the sixth V site, V(6) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Mn(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(4), one V(5), one V(6), and one Mn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(5), one V(6), one Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(3), one Mn(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one V(4), one V(6), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni trigonal pyramids. In the sixth O site, O(6) is bonded to one V(1), one V(3), one Mn(2), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni trigonal pyramids. In the seventh O site, O(7) is bonded to one V(4), one V(5), one Mn(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni tetrahedra. In the eighth O site, O(8) is bonded to one V(1), one V(2), one Mn(2), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OMnV2Ni tetrahedra. is represented by the CIF file [CIF]
data_Mn2V3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.076
_cell_length_c   6.099
_cell_angle_alpha   60.737
_cell_angle_beta   60.903
_cell_angle_gamma   91.170
_symmetry_Int_Tables_number   1
_cell_volume   161.154
_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  0.758  0.255  0.491  1.0
  Mn  Mn1  1  0.991  0.994  0.009  1.0
  Ni  Ni2  1  0.375  0.125  0.250  1.0
  O  O3  1  0.126  0.409  0.732  1.0
  O  O4  1  0.624  0.841  0.768  1.0
  O  O5  1  0.116  0.851  0.736  1.0
  O  O6  1  0.124  0.841  0.290  1.0
  O  O7  1  0.581  0.854  0.290  1.0
  O  O8  1  0.635  0.400  0.764  1.0
  O  O9  1  0.626  0.409  0.210  1.0
  O  O10  1  0.169  0.396  0.210  1.0
  V  V11  1  0.375  0.625  0.250  1.0
  V  V12  1  0.375  0.625  0.750  1.0
  V  V13  1  0.875  0.625  0.750  1.0
[/CIF]
.