The material structure described by V3Mn(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the second V site, V(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 pentagonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third V site, V(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent V(2)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-63°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. is represented by the CIF card [CIF]
data_MnV3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   4.920
_cell_length_c   10.100
_cell_angle_alpha   89.310
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.120
_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  0.000  0.035  0.277  1.0
  V  V1  1  0.000  0.480  0.772  1.0
  V  V2  1  0.500  0.542  0.221  1.0
  V  V3  1  0.500  0.980  0.732  1.0
  P  P4  1  0.500  0.105  0.400  1.0
  P  P5  1  0.500  0.411  0.905  1.0
  P  P6  1  0.000  0.561  0.092  1.0
  P  P7  1  0.000  0.916  0.601  1.0
  O  O8  1  0.500  0.141  0.550  1.0
  O  O9  1  0.303  0.264  0.328  1.0
  O  O10  1  0.697  0.264  0.328  1.0
  O  O11  1  0.000  0.220  0.628  1.0
  O  O12  1  0.000  0.257  0.106  1.0
  O  O13  1  0.298  0.267  0.831  1.0
  O  O14  1  0.702  0.267  0.831  1.0
  O  O15  1  0.500  0.336  0.054  1.0
  O  O16  1  0.000  0.653  0.948  1.0
  O  O17  1  0.791  0.699  0.168  1.0
  O  O18  1  0.209  0.699  0.168  1.0
  O  O19  1  0.500  0.717  0.883  1.0
  O  O20  1  0.500  0.799  0.369  1.0
  O  O21  1  0.797  0.769  0.677  1.0
  O  O22  1  0.203  0.769  0.677  1.0
  O  O23  1  0.000  0.851  0.457  1.0
[/CIF]
.
The material structure described by V3Mn(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the second V site, V(2) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 pentagonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third V site, V(3) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent V(2)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-63°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one V(2)O6 pentagonal pyramid, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. is represented by the CIF card [CIF]
data_MnV3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   4.920
_cell_length_c   10.100
_cell_angle_alpha   89.310
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.120
_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  0.000  0.035  0.277  1.0
  V  V1  1  0.000  0.480  0.772  1.0
  V  V2  1  0.500  0.542  0.221  1.0
  V  V3  1  0.500  0.980  0.732  1.0
  P  P4  1  0.500  0.105  0.400  1.0
  P  P5  1  0.500  0.411  0.905  1.0
  P  P6  1  0.000  0.561  0.092  1.0
  P  P7  1  0.000  0.916  0.601  1.0
  O  O8  1  0.500  0.141  0.550  1.0
  O  O9  1  0.303  0.264  0.328  1.0
  O  O10  1  0.697  0.264  0.328  1.0
  O  O11  1  0.000  0.220  0.628  1.0
  O  O12  1  0.000  0.257  0.106  1.0
  O  O13  1  0.298  0.267  0.831  1.0
  O  O14  1  0.702  0.267  0.831  1.0
  O  O15  1  0.500  0.336  0.054  1.0
  O  O16  1  0.000  0.653  0.948  1.0
  O  O17  1  0.791  0.699  0.168  1.0
  O  O18  1  0.209  0.699  0.168  1.0
  O  O19  1  0.500  0.717  0.883  1.0
  O  O20  1  0.500  0.799  0.369  1.0
  O  O21  1  0.797  0.769  0.677  1.0
  O  O22  1  0.203  0.769  0.677  1.0
  O  O23  1  0.000  0.851  0.457  1.0
[/CIF]
.