The material structure described by Li3VMn(PO4)3 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-68°. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the second P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. There are eight inequivalent O sites. In the first O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form OLi2MnP tetrahedra that share corners with two equivalent O(8)Li2MnP tetrahedra and corners with two equivalent O(1)Li2VP tetrahedra. In the second O site, O(1) is bonded to one Li(1), one Li(2), one V(2), and one P(1) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(8)Li2MnP tetrahedra and corners with two equivalent O(1)Li2VP tetrahedra. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.019
_cell_length_b   9.019
_cell_length_c   9.019
_cell_angle_alpha   56.115
_cell_angle_beta   56.115
_cell_angle_gamma   56.115
_symmetry_Int_Tables_number   1
_cell_volume   472.010
_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  0.266  0.921  0.664  1.0
  Li  Li1  1  0.921  0.664  0.266  1.0
  Li  Li2  1  0.664  0.266  0.921  1.0
  Li  Li3  1  0.336  0.737  0.077  1.0
  Li  Li4  1  0.077  0.336  0.737  1.0
  Li  Li5  1  0.737  0.077  0.336  1.0
  Mn  Mn6  1  0.652  0.652  0.652  1.0
  Mn  Mn7  1  0.146  0.146  0.146  1.0
  V  V8  1  0.853  0.853  0.853  1.0
  V  V9  1  0.349  0.349  0.349  1.0
  P  P10  1  0.959  0.250  0.540  1.0
  P  P11  1  0.540  0.959  0.250  1.0
  P  P12  1  0.250  0.540  0.959  1.0
  P  P13  1  0.749  0.459  0.041  1.0
  P  P14  1  0.459  0.041  0.749  1.0
  P  P15  1  0.041  0.749  0.459  1.0
  O  O16  1  0.156  0.209  0.538  1.0
  O  O17  1  0.834  0.463  0.508  1.0
  O  O18  1  0.508  0.834  0.463  1.0
  O  O19  1  0.538  0.156  0.209  1.0
  O  O20  1  0.209  0.538  0.156  1.0
  O  O21  1  0.991  0.198  0.389  1.0
  O  O22  1  0.746  0.867  0.119  1.0
  O  O23  1  0.389  0.991  0.198  1.0
  O  O24  1  0.463  0.508  0.834  1.0
  O  O25  1  0.119  0.746  0.867  1.0
  O  O26  1  0.198  0.389  0.991  1.0
  O  O27  1  0.867  0.119  0.746  1.0
  O  O28  1  0.140  0.870  0.256  1.0
  O  O29  1  0.802  0.616  0.003  1.0
  O  O30  1  0.870  0.256  0.140  1.0
  O  O31  1  0.534  0.496  0.166  1.0
  O  O32  1  0.616  0.003  0.802  1.0
  O  O33  1  0.256  0.140  0.870  1.0
  O  O34  1  0.003  0.802  0.616  1.0
  O  O35  1  0.793  0.457  0.848  1.0
  O  O36  1  0.457  0.848  0.793  1.0
  O  O37  1  0.496  0.166  0.534  1.0
  O  O38  1  0.166  0.534  0.496  1.0
  O  O39  1  0.848  0.793  0.457  1.0
[/CIF]
.
The material structure described by Li3VMn(PO4)3 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-68°. In the second Li site, Li(2) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the second P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. There are eight inequivalent O sites. In the first O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form OLi2MnP tetrahedra that share corners with two equivalent O(8)Li2MnP tetrahedra and corners with two equivalent O(1)Li2VP tetrahedra. In the second O site, O(1) is bonded to one Li(1), one Li(2), one V(2), and one P(1) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(8)Li2MnP tetrahedra and corners with two equivalent O(1)Li2VP tetrahedra. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighth O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.019
_cell_length_b   9.019
_cell_length_c   9.019
_cell_angle_alpha   56.115
_cell_angle_beta   56.115
_cell_angle_gamma   56.115
_symmetry_Int_Tables_number   1
_cell_volume   472.010
_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  0.266  0.921  0.664  1.0
  Li  Li1  1  0.921  0.664  0.266  1.0
  Li  Li2  1  0.664  0.266  0.921  1.0
  Li  Li3  1  0.336  0.737  0.077  1.0
  Li  Li4  1  0.077  0.336  0.737  1.0
  Li  Li5  1  0.737  0.077  0.336  1.0
  Mn  Mn6  1  0.652  0.652  0.652  1.0
  Mn  Mn7  1  0.146  0.146  0.146  1.0
  V  V8  1  0.853  0.853  0.853  1.0
  V  V9  1  0.349  0.349  0.349  1.0
  P  P10  1  0.959  0.250  0.540  1.0
  P  P11  1  0.540  0.959  0.250  1.0
  P  P12  1  0.250  0.540  0.959  1.0
  P  P13  1  0.749  0.459  0.041  1.0
  P  P14  1  0.459  0.041  0.749  1.0
  P  P15  1  0.041  0.749  0.459  1.0
  O  O16  1  0.156  0.209  0.538  1.0
  O  O17  1  0.834  0.463  0.508  1.0
  O  O18  1  0.508  0.834  0.463  1.0
  O  O19  1  0.538  0.156  0.209  1.0
  O  O20  1  0.209  0.538  0.156  1.0
  O  O21  1  0.991  0.198  0.389  1.0
  O  O22  1  0.746  0.867  0.119  1.0
  O  O23  1  0.389  0.991  0.198  1.0
  O  O24  1  0.463  0.508  0.834  1.0
  O  O25  1  0.119  0.746  0.867  1.0
  O  O26  1  0.198  0.389  0.991  1.0
  O  O27  1  0.867  0.119  0.746  1.0
  O  O28  1  0.140  0.870  0.256  1.0
  O  O29  1  0.802  0.616  0.003  1.0
  O  O30  1  0.870  0.256  0.140  1.0
  O  O31  1  0.534  0.496  0.166  1.0
  O  O32  1  0.616  0.003  0.802  1.0
  O  O33  1  0.256  0.140  0.870  1.0
  O  O34  1  0.003  0.802  0.616  1.0
  O  O35  1  0.793  0.457  0.848  1.0
  O  O36  1  0.457  0.848  0.793  1.0
  O  O37  1  0.496  0.166  0.534  1.0
  O  O38  1  0.166  0.534  0.496  1.0
  O  O39  1  0.848  0.793  0.457  1.0
[/CIF]
.