The structure described by Li3VMn(PO4)3 crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(5), two equivalent O(10), and two equivalent O(7) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(6) atoms. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. Mn(1) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the third P site, P(3) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one V(1), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(6)Li2MnP tetrahedra, corners with two equivalent O(4)Li2VP trigonal pyramids, and  an edgeedge with one O(6)Li2MnP tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(3), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Mn(1), and one P(2) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent O(6)Li2MnP tetrahedra, corners with two equivalent O(4)Li2VP trigonal pyramids, and  an edgeedge with one O(4)Li2VP trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Li(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(3), one Mn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one V(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.652
_cell_length_b   8.652
_cell_length_c   6.335
_cell_angle_alpha   74.102
_cell_angle_beta   74.102
_cell_angle_gamma   95.193
_symmetry_Int_Tables_number   1
_cell_volume   431.542
_cell_formula_units_Z   2
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
  Li  Li0  1  0.998  0.002  0.500  1.0
  Li  Li1  1  0.711  0.289  0.000  1.0
  Li  Li2  1  0.501  0.502  0.247  1.0
  Li  Li3  1  0.498  0.499  0.753  1.0
  Li  Li4  1  0.289  0.711  0.500  1.0
  Li  Li5  1  0.004  0.996  0.000  1.0
  Mn  Mn6  1  0.625  0.942  0.880  1.0
  Mn  Mn7  1  0.058  0.375  0.120  1.0
  V  V8  1  0.943  0.622  0.392  1.0
  V  V9  1  0.378  0.057  0.608  1.0
  P  P10  1  0.713  0.287  0.500  1.0
  P  P11  1  0.866  0.665  0.886  1.0
  P  P12  1  0.661  0.861  0.386  1.0
  P  P13  1  0.335  0.134  0.114  1.0
  P  P14  1  0.139  0.339  0.614  1.0
  P  P15  1  0.286  0.714  0.000  1.0
  O  O16  1  0.990  0.656  0.661  1.0
  O  O17  1  0.948  0.610  0.080  1.0
  O  O18  1  0.737  0.172  0.722  1.0
  O  O19  1  0.828  0.263  0.278  1.0
  O  O20  1  0.843  0.842  0.362  1.0
  O  O21  1  0.737  0.461  0.523  1.0
  O  O22  1  0.855  0.850  0.844  1.0
  O  O23  1  0.704  0.549  0.955  1.0
  O  O24  1  0.599  0.952  0.573  1.0
  O  O25  1  0.664  0.985  0.153  1.0
  O  O26  1  0.539  0.263  0.477  1.0
  O  O27  1  0.543  0.702  0.457  1.0
  O  O28  1  0.451  0.296  0.045  1.0
  O  O29  1  0.463  0.739  0.017  1.0
  O  O30  1  0.344  0.010  0.339  1.0
  O  O31  1  0.390  0.052  0.920  1.0
  O  O32  1  0.298  0.457  0.543  1.0
  O  O33  1  0.158  0.157  0.638  1.0
  O  O34  1  0.261  0.537  0.983  1.0
  O  O35  1  0.150  0.145  0.156  1.0
  O  O36  1  0.174  0.741  0.219  1.0
  O  O37  1  0.259  0.826  0.781  1.0
  O  O38  1  0.048  0.401  0.427  1.0
  O  O39  1  0.015  0.336  0.847  1.0
[/CIF]
.
The structure described by Li3VMn(PO4)3 crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(5), two equivalent O(10), and two equivalent O(7) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(6) atoms. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. Mn(1) is bonded to one O(11), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the third P site, P(3) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one V(1), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(6)Li2MnP tetrahedra, corners with two equivalent O(4)Li2VP trigonal pyramids, and  an edgeedge with one O(6)Li2MnP tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(3), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Mn(1), and one P(2) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent O(6)Li2MnP tetrahedra, corners with two equivalent O(4)Li2VP trigonal pyramids, and  an edgeedge with one O(4)Li2VP trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Li(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(3), one Mn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one V(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.652
_cell_length_b   8.652
_cell_length_c   6.335
_cell_angle_alpha   74.102
_cell_angle_beta   74.102
_cell_angle_gamma   95.193
_symmetry_Int_Tables_number   1
_cell_volume   431.542
_cell_formula_units_Z   2
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
  Li  Li0  1  0.998  0.002  0.500  1.0
  Li  Li1  1  0.711  0.289  0.000  1.0
  Li  Li2  1  0.501  0.502  0.247  1.0
  Li  Li3  1  0.498  0.499  0.753  1.0
  Li  Li4  1  0.289  0.711  0.500  1.0
  Li  Li5  1  0.004  0.996  0.000  1.0
  Mn  Mn6  1  0.625  0.942  0.880  1.0
  Mn  Mn7  1  0.058  0.375  0.120  1.0
  V  V8  1  0.943  0.622  0.392  1.0
  V  V9  1  0.378  0.057  0.608  1.0
  P  P10  1  0.713  0.287  0.500  1.0
  P  P11  1  0.866  0.665  0.886  1.0
  P  P12  1  0.661  0.861  0.386  1.0
  P  P13  1  0.335  0.134  0.114  1.0
  P  P14  1  0.139  0.339  0.614  1.0
  P  P15  1  0.286  0.714  0.000  1.0
  O  O16  1  0.990  0.656  0.661  1.0
  O  O17  1  0.948  0.610  0.080  1.0
  O  O18  1  0.737  0.172  0.722  1.0
  O  O19  1  0.828  0.263  0.278  1.0
  O  O20  1  0.843  0.842  0.362  1.0
  O  O21  1  0.737  0.461  0.523  1.0
  O  O22  1  0.855  0.850  0.844  1.0
  O  O23  1  0.704  0.549  0.955  1.0
  O  O24  1  0.599  0.952  0.573  1.0
  O  O25  1  0.664  0.985  0.153  1.0
  O  O26  1  0.539  0.263  0.477  1.0
  O  O27  1  0.543  0.702  0.457  1.0
  O  O28  1  0.451  0.296  0.045  1.0
  O  O29  1  0.463  0.739  0.017  1.0
  O  O30  1  0.344  0.010  0.339  1.0
  O  O31  1  0.390  0.052  0.920  1.0
  O  O32  1  0.298  0.457  0.543  1.0
  O  O33  1  0.158  0.157  0.638  1.0
  O  O34  1  0.261  0.537  0.983  1.0
  O  O35  1  0.150  0.145  0.156  1.0
  O  O36  1  0.174  0.741  0.219  1.0
  O  O37  1  0.259  0.826  0.781  1.0
  O  O38  1  0.048  0.401  0.427  1.0
  O  O39  1  0.015  0.336  0.847  1.0
[/CIF]
.