The material structure described by Li3VMn(PO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(5), and one O(6) atom. V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Mn(1) is bonded to one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-50°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(1), and one P(2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(1), and one P(3) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. is represented by the CIF file [CIF]
data_Li3MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.565
_cell_length_c   9.142
_cell_angle_alpha   90.109
_cell_angle_beta   117.132
_cell_angle_gamma   119.711
_symmetry_Int_Tables_number   1
_cell_volume   494.386
_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  0.188  0.930  0.858  1.0
  Li  Li1  1  0.609  0.676  0.871  1.0
  Li  Li2  1  0.924  0.261  0.849  1.0
  Li  Li3  1  0.076  0.739  0.151  1.0
  Li  Li4  1  0.391  0.324  0.129  1.0
  Li  Li5  1  0.812  0.070  0.142  1.0
  Mn  Mn6  1  0.295  0.151  0.440  1.0
  Mn  Mn7  1  0.705  0.849  0.560  1.0
  V  V8  1  0.306  0.654  0.960  1.0
  V  V9  1  0.694  0.346  0.040  1.0
  P  P10  1  0.213  0.261  0.751  1.0
  P  P11  1  0.495  0.954  0.751  1.0
  P  P12  1  0.799  0.543  0.752  1.0
  P  P13  1  0.201  0.457  0.248  1.0
  P  P14  1  0.505  0.046  0.249  1.0
  P  P15  1  0.787  0.739  0.249  1.0
  O  O16  1  0.369  0.213  0.894  1.0
  O  O17  1  0.002  0.138  0.744  1.0
  O  O18  1  0.313  0.478  0.823  1.0
  O  O19  1  0.349  0.837  0.823  1.0
  O  O20  1  0.686  0.155  0.896  1.0
  O  O21  1  0.742  0.528  0.900  1.0
  O  O22  1  0.199  0.225  0.583  1.0
  O  O23  1  0.607  0.862  0.742  1.0
  O  O24  1  0.368  0.981  0.586  1.0
  O  O25  1  0.989  0.517  0.820  1.0
  O  O26  1  0.880  0.749  0.749  1.0
  O  O27  1  0.611  0.393  0.587  1.0
  O  O28  1  0.389  0.607  0.413  1.0
  O  O29  1  0.120  0.251  0.251  1.0
  O  O30  1  0.011  0.483  0.180  1.0
  O  O31  1  0.632  0.019  0.414  1.0
  O  O32  1  0.393  0.138  0.258  1.0
  O  O33  1  0.801  0.775  0.417  1.0
  O  O34  1  0.258  0.472  0.100  1.0
  O  O35  1  0.314  0.845  0.104  1.0
  O  O36  1  0.651  0.163  0.177  1.0
  O  O37  1  0.687  0.522  0.177  1.0
  O  O38  1  0.998  0.862  0.256  1.0
  O  O39  1  0.631  0.787  0.106  1.0
[/CIF]
.
The material structure described by Li3VMn(PO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(5), and one O(6) atom. V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Mn(1) is bonded to one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-50°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-50°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(1), and one P(2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(1), and one P(3) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. is represented by the CIF file [CIF]
data_Li3MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.565
_cell_length_c   9.142
_cell_angle_alpha   90.109
_cell_angle_beta   117.132
_cell_angle_gamma   119.711
_symmetry_Int_Tables_number   1
_cell_volume   494.386
_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  0.188  0.930  0.858  1.0
  Li  Li1  1  0.609  0.676  0.871  1.0
  Li  Li2  1  0.924  0.261  0.849  1.0
  Li  Li3  1  0.076  0.739  0.151  1.0
  Li  Li4  1  0.391  0.324  0.129  1.0
  Li  Li5  1  0.812  0.070  0.142  1.0
  Mn  Mn6  1  0.295  0.151  0.440  1.0
  Mn  Mn7  1  0.705  0.849  0.560  1.0
  V  V8  1  0.306  0.654  0.960  1.0
  V  V9  1  0.694  0.346  0.040  1.0
  P  P10  1  0.213  0.261  0.751  1.0
  P  P11  1  0.495  0.954  0.751  1.0
  P  P12  1  0.799  0.543  0.752  1.0
  P  P13  1  0.201  0.457  0.248  1.0
  P  P14  1  0.505  0.046  0.249  1.0
  P  P15  1  0.787  0.739  0.249  1.0
  O  O16  1  0.369  0.213  0.894  1.0
  O  O17  1  0.002  0.138  0.744  1.0
  O  O18  1  0.313  0.478  0.823  1.0
  O  O19  1  0.349  0.837  0.823  1.0
  O  O20  1  0.686  0.155  0.896  1.0
  O  O21  1  0.742  0.528  0.900  1.0
  O  O22  1  0.199  0.225  0.583  1.0
  O  O23  1  0.607  0.862  0.742  1.0
  O  O24  1  0.368  0.981  0.586  1.0
  O  O25  1  0.989  0.517  0.820  1.0
  O  O26  1  0.880  0.749  0.749  1.0
  O  O27  1  0.611  0.393  0.587  1.0
  O  O28  1  0.389  0.607  0.413  1.0
  O  O29  1  0.120  0.251  0.251  1.0
  O  O30  1  0.011  0.483  0.180  1.0
  O  O31  1  0.632  0.019  0.414  1.0
  O  O32  1  0.393  0.138  0.258  1.0
  O  O33  1  0.801  0.775  0.417  1.0
  O  O34  1  0.258  0.472  0.100  1.0
  O  O35  1  0.314  0.845  0.104  1.0
  O  O36  1  0.651  0.163  0.177  1.0
  O  O37  1  0.687  0.522  0.177  1.0
  O  O38  1  0.998  0.862  0.256  1.0
  O  O39  1  0.631  0.787  0.106  1.0
[/CIF]
.