The compound described by Mn3(VO4)2 crystallizes in the tetragonal I-4 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the second V site, V(2) is bonded to four equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to four equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(1)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)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are six inequivalent O sites. In the first O site, O(3) is bonded to one V(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted corner-sharing OMn3V tetrahedra. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Mn(4) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one Mn(4) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(2), and one Mn(4) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.851
_cell_length_b   10.851
_cell_length_c   10.851
_cell_angle_alpha   142.549
_cell_angle_beta   142.549
_cell_angle_gamma   54.002
_symmetry_Int_Tables_number   1
_cell_volume   469.339
_cell_formula_units_Z   3
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  0.478  0.978  0.500  1.0
  Mn  Mn1  1  0.775  0.775  0.000  1.0
  Mn  Mn2  1  0.022  0.522  0.500  1.0
  Mn  Mn3  1  0.225  0.225  1.000  1.0
  Mn  Mn4  1  0.750  0.250  0.500  1.0
  Mn  Mn5  1  0.131  0.118  0.495  1.0
  Mn  Mn6  1  0.623  0.636  0.505  1.0
  Mn  Mn7  1  0.364  0.869  0.987  1.0
  Mn  Mn8  1  0.882  0.377  0.013  1.0
  V  V9  1  0.123  0.529  0.903  1.0
  V  V10  1  0.627  0.220  0.097  1.0
  V  V11  1  0.780  0.877  0.406  1.0
  V  V12  1  0.471  0.373  0.594  1.0
  V  V13  1  0.250  0.750  0.500  1.0
  V  V14  1  1.000  1.000  1.000  1.0
  O  O15  1  0.087  0.848  0.344  1.0
  O  O16  1  0.165  0.000  0.256  1.0
  O  O17  1  0.504  0.743  0.656  1.0
  O  O18  1  0.744  0.909  0.744  1.0
  O  O19  1  0.257  0.913  0.761  1.0
  O  O20  1  1.000  0.256  0.165  1.0
  O  O21  1  0.152  0.496  0.239  1.0
  O  O22  1  0.091  0.835  0.835  1.0
  O  O23  1  0.079  0.301  0.776  1.0
  O  O24  1  0.138  0.432  0.692  1.0
  O  O25  1  0.525  0.303  0.224  1.0
  O  O26  1  0.740  0.446  0.308  1.0
  O  O27  1  0.697  0.921  0.222  1.0
  O  O28  1  0.568  0.260  0.706  1.0
  O  O29  1  0.699  0.475  0.778  1.0
  O  O30  1  0.554  0.862  0.294  1.0
  O  O31  1  0.375  0.187  0.263  1.0
  O  O32  1  0.878  0.646  0.319  1.0
  O  O33  1  0.924  0.112  0.737  1.0
  O  O34  1  0.327  0.559  0.681  1.0
  O  O35  1  0.888  0.625  0.812  1.0
  O  O36  1  0.354  0.673  0.232  1.0
  O  O37  1  0.813  0.076  0.188  1.0
  O  O38  1  0.441  0.122  0.768  1.0
[/CIF]
.
The compound described by Mn3(VO4)2 crystallizes in the tetragonal I-4 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the second V site, V(2) is bonded to four equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to four equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(1)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)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are six inequivalent O sites. In the first O site, O(3) is bonded to one V(1), one Mn(2), one Mn(3), and one Mn(4) atom to form distorted corner-sharing OMn3V tetrahedra. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Mn(4) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one Mn(4) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(2), and one Mn(4) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3), one Mn(1), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.851
_cell_length_b   10.851
_cell_length_c   10.851
_cell_angle_alpha   142.549
_cell_angle_beta   142.549
_cell_angle_gamma   54.002
_symmetry_Int_Tables_number   1
_cell_volume   469.339
_cell_formula_units_Z   3
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  0.478  0.978  0.500  1.0
  Mn  Mn1  1  0.775  0.775  0.000  1.0
  Mn  Mn2  1  0.022  0.522  0.500  1.0
  Mn  Mn3  1  0.225  0.225  1.000  1.0
  Mn  Mn4  1  0.750  0.250  0.500  1.0
  Mn  Mn5  1  0.131  0.118  0.495  1.0
  Mn  Mn6  1  0.623  0.636  0.505  1.0
  Mn  Mn7  1  0.364  0.869  0.987  1.0
  Mn  Mn8  1  0.882  0.377  0.013  1.0
  V  V9  1  0.123  0.529  0.903  1.0
  V  V10  1  0.627  0.220  0.097  1.0
  V  V11  1  0.780  0.877  0.406  1.0
  V  V12  1  0.471  0.373  0.594  1.0
  V  V13  1  0.250  0.750  0.500  1.0
  V  V14  1  1.000  1.000  1.000  1.0
  O  O15  1  0.087  0.848  0.344  1.0
  O  O16  1  0.165  0.000  0.256  1.0
  O  O17  1  0.504  0.743  0.656  1.0
  O  O18  1  0.744  0.909  0.744  1.0
  O  O19  1  0.257  0.913  0.761  1.0
  O  O20  1  1.000  0.256  0.165  1.0
  O  O21  1  0.152  0.496  0.239  1.0
  O  O22  1  0.091  0.835  0.835  1.0
  O  O23  1  0.079  0.301  0.776  1.0
  O  O24  1  0.138  0.432  0.692  1.0
  O  O25  1  0.525  0.303  0.224  1.0
  O  O26  1  0.740  0.446  0.308  1.0
  O  O27  1  0.697  0.921  0.222  1.0
  O  O28  1  0.568  0.260  0.706  1.0
  O  O29  1  0.699  0.475  0.778  1.0
  O  O30  1  0.554  0.862  0.294  1.0
  O  O31  1  0.375  0.187  0.263  1.0
  O  O32  1  0.878  0.646  0.319  1.0
  O  O33  1  0.924  0.112  0.737  1.0
  O  O34  1  0.327  0.559  0.681  1.0
  O  O35  1  0.888  0.625  0.812  1.0
  O  O36  1  0.354  0.673  0.232  1.0
  O  O37  1  0.813  0.076  0.188  1.0
  O  O38  1  0.441  0.122  0.768  1.0
[/CIF]
.