The crystal structure described by Li6V3Mn(PO4)6 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(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-66°. 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 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-69°. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. In the third V site, V(3) 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. Mn(1) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form MnO6 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 trigonal pyramids. 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 V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-49°. 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 V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-53°. There are eight inequivalent O sites. In the first O site, O(8) is bonded to one Li(1), one Li(2), one V(1), and one P(2) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(1)Li2MnP tetrahedra and corners with two equivalent O(8)Li2VP tetrahedra. In the second O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form OLi2MnP tetrahedra that share corners with two equivalent O(1)Li2MnP tetrahedra and corners with two equivalent O(8)Li2VP tetrahedra. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6MnV3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.033
_cell_length_b   9.033
_cell_length_c   9.033
_cell_angle_alpha   56.139
_cell_angle_beta   56.139
_cell_angle_gamma   56.139
_symmetry_Int_Tables_number   1
_cell_volume   474.647
_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
  Li  Li0  1  0.732  0.338  0.080  1.0
  Li  Li1  1  0.080  0.732  0.338  1.0
  Li  Li2  1  0.338  0.080  0.732  1.0
  Li  Li3  1  0.669  0.918  0.266  1.0
  Li  Li4  1  0.918  0.266  0.669  1.0
  Li  Li5  1  0.266  0.669  0.918  1.0
  Mn  Mn6  1  0.651  0.651  0.651  1.0
  V  V7  1  0.350  0.350  0.350  1.0
  V  V8  1  0.853  0.853  0.853  1.0
  V  V9  1  0.147  0.147  0.147  1.0
  P  P10  1  0.042  0.455  0.754  1.0
  P  P11  1  0.455  0.754  0.042  1.0
  P  P12  1  0.754  0.042  0.455  1.0
  P  P13  1  0.247  0.964  0.537  1.0
  P  P14  1  0.537  0.247  0.964  1.0
  P  P15  1  0.964  0.537  0.247  1.0
  O  O16  1  0.855  0.443  0.798  1.0
  O  O17  1  0.168  0.490  0.539  1.0
  O  O18  1  0.490  0.539  0.168  1.0
  O  O19  1  0.443  0.798  0.855  1.0
  O  O20  1  0.798  0.855  0.443  1.0
  O  O21  1  0.001  0.613  0.804  1.0
  O  O22  1  0.254  0.878  0.147  1.0
  O  O23  1  0.613  0.804  0.001  1.0
  O  O24  1  0.539  0.168  0.490  1.0
  O  O25  1  0.878  0.147  0.254  1.0
  O  O26  1  0.804  0.001  0.613  1.0
  O  O27  1  0.147  0.254  0.878  1.0
  O  O28  1  0.869  0.740  0.120  1.0
  O  O29  1  0.180  0.009  0.388  1.0
  O  O30  1  0.120  0.869  0.740  1.0
  O  O31  1  0.458  0.841  0.495  1.0
  O  O32  1  0.388  0.180  0.009  1.0
  O  O33  1  0.740  0.120  0.869  1.0
  O  O34  1  0.009  0.388  0.180  1.0
  O  O35  1  0.208  0.158  0.538  1.0
  O  O36  1  0.538  0.208  0.158  1.0
  O  O37  1  0.495  0.458  0.841  1.0
  O  O38  1  0.841  0.495  0.458  1.0
  O  O39  1  0.158  0.538  0.208  1.0
[/CIF]
.
The crystal structure described by Li6V3Mn(PO4)6 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(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-66°. 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 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-69°. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Li(1)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. In the third V site, V(3) 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. Mn(1) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form MnO6 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 trigonal pyramids. 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 V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-49°. 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 V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-53°. There are eight inequivalent O sites. In the first O site, O(8) is bonded to one Li(1), one Li(2), one V(1), and one P(2) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(1)Li2MnP tetrahedra and corners with two equivalent O(8)Li2VP tetrahedra. In the second O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form OLi2MnP tetrahedra that share corners with two equivalent O(1)Li2MnP tetrahedra and corners with two equivalent O(8)Li2VP tetrahedra. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6MnV3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.033
_cell_length_b   9.033
_cell_length_c   9.033
_cell_angle_alpha   56.139
_cell_angle_beta   56.139
_cell_angle_gamma   56.139
_symmetry_Int_Tables_number   1
_cell_volume   474.647
_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
  Li  Li0  1  0.732  0.338  0.080  1.0
  Li  Li1  1  0.080  0.732  0.338  1.0
  Li  Li2  1  0.338  0.080  0.732  1.0
  Li  Li3  1  0.669  0.918  0.266  1.0
  Li  Li4  1  0.918  0.266  0.669  1.0
  Li  Li5  1  0.266  0.669  0.918  1.0
  Mn  Mn6  1  0.651  0.651  0.651  1.0
  V  V7  1  0.350  0.350  0.350  1.0
  V  V8  1  0.853  0.853  0.853  1.0
  V  V9  1  0.147  0.147  0.147  1.0
  P  P10  1  0.042  0.455  0.754  1.0
  P  P11  1  0.455  0.754  0.042  1.0
  P  P12  1  0.754  0.042  0.455  1.0
  P  P13  1  0.247  0.964  0.537  1.0
  P  P14  1  0.537  0.247  0.964  1.0
  P  P15  1  0.964  0.537  0.247  1.0
  O  O16  1  0.855  0.443  0.798  1.0
  O  O17  1  0.168  0.490  0.539  1.0
  O  O18  1  0.490  0.539  0.168  1.0
  O  O19  1  0.443  0.798  0.855  1.0
  O  O20  1  0.798  0.855  0.443  1.0
  O  O21  1  0.001  0.613  0.804  1.0
  O  O22  1  0.254  0.878  0.147  1.0
  O  O23  1  0.613  0.804  0.001  1.0
  O  O24  1  0.539  0.168  0.490  1.0
  O  O25  1  0.878  0.147  0.254  1.0
  O  O26  1  0.804  0.001  0.613  1.0
  O  O27  1  0.147  0.254  0.878  1.0
  O  O28  1  0.869  0.740  0.120  1.0
  O  O29  1  0.180  0.009  0.388  1.0
  O  O30  1  0.120  0.869  0.740  1.0
  O  O31  1  0.458  0.841  0.495  1.0
  O  O32  1  0.388  0.180  0.009  1.0
  O  O33  1  0.740  0.120  0.869  1.0
  O  O34  1  0.009  0.388  0.180  1.0
  O  O35  1  0.208  0.158  0.538  1.0
  O  O36  1  0.538  0.208  0.158  1.0
  O  O37  1  0.495  0.458  0.841  1.0
  O  O38  1  0.841  0.495  0.458  1.0
  O  O39  1  0.158  0.538  0.208  1.0
[/CIF]
.