The material structure described by Li6V3Mn(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(18), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(2), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(10), one O(17), and one O(20) atom. In the fourth Li site, Li(4) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(19), one O(2), one O(21), and one O(24) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(14), one O(23), one O(4), and one O(6) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(16), one O(24), one O(6), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(13), one O(16), one O(20), and one O(21) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(12), one O(14), one O(15), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(17), one O(19), one O(2), one O(22), one O(24), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(18), one O(23), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(2), and one O(5) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-49°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(7) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. In the third P site, P(3) is bonded to one O(14), one O(16), one O(17), and one O(6) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fourth P site, P(4) is bonded to one O(15), one O(18), one O(21), and one O(22) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fifth P site, P(5) is bonded to one O(11), one O(19), one O(8), and one O(9) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. In the sixth P site, P(6) is bonded to one O(12), one O(20), one O(23), and one O(24) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-50°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal pyramidal geometry to one Li(5), one Li(6), one Mn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(6), one V(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one V(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(4), one V(1), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one V(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(5), one V(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(6), one V(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one V(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted T-shaped geometry to one Li(4), one V(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), one V(3), and one P(6) atom. is represented by the CIF file [CIF]
data_Li6MnV3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.679
_cell_length_c   8.717
_cell_angle_alpha   90.347
_cell_angle_beta   118.852
_cell_angle_gamma   119.089
_symmetry_Int_Tables_number   1
_cell_volume   476.450
_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  0.371  0.110  0.710  1.0
  Li  Li1  1  0.617  0.655  0.679  1.0
  Li  Li2  1  0.369  0.265  0.213  1.0
  Li  Li3  1  0.015  0.635  0.747  1.0
  Li  Li4  1  0.016  0.374  0.248  1.0
  Li  Li5  1  0.617  0.962  0.178  1.0
  Mn  Mn6  1  0.790  0.147  0.857  1.0
  V  V7  1  0.790  0.643  0.358  1.0
  V  V8  1  0.205  0.358  0.640  1.0
  V  V9  1  0.204  0.847  0.139  1.0
  P  P10  1  0.722  0.470  0.954  1.0
  P  P11  1  0.718  0.248  0.455  1.0
  P  P12  1  0.003  0.048  0.255  1.0
  P  P13  1  0.275  0.750  0.538  1.0
  P  P14  1  0.001  0.956  0.754  1.0
  P  P15  1  0.278  0.528  0.042  1.0
  O  O16  1  0.681  0.272  0.917  1.0
  O  O17  1  0.904  0.618  0.939  1.0
  O  O18  1  0.764  0.247  0.647  1.0
  O  O19  1  0.908  0.287  0.444  1.0
  O  O20  1  0.518  0.448  0.794  1.0
  O  O21  1  0.833  0.075  0.102  1.0
  O  O22  1  0.522  0.066  0.295  1.0
  O  O23  1  0.869  0.989  0.806  1.0
  O  O24  1  0.125  0.110  0.695  1.0
  O  O25  1  0.674  0.402  0.416  1.0
  O  O26  1  0.831  0.761  0.601  1.0
  O  O27  1  0.216  0.479  0.842  1.0
  O  O28  1  0.766  0.518  0.145  1.0
  O  O29  1  0.176  0.232  0.419  1.0
  O  O30  1  0.330  0.603  0.583  1.0
  O  O31  1  0.878  0.887  0.309  1.0
  O  O32  1  0.128  0.017  0.193  1.0
  O  O33  1  0.456  0.942  0.680  1.0
  O  O34  1  0.173  0.940  0.918  1.0
  O  O35  1  0.472  0.526  0.184  1.0
  O  O36  1  0.079  0.698  0.545  1.0
  O  O37  1  0.218  0.741  0.341  1.0
  O  O38  1  0.095  0.387  0.059  1.0
  O  O39  1  0.331  0.729  0.085  1.0
[/CIF]
.
The material structure described by Li6V3Mn(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(18), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(2), one O(5), and one O(8) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(10), one O(17), and one O(20) atom. In the fourth Li site, Li(4) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(19), one O(2), one O(21), and one O(24) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(14), one O(23), one O(4), and one O(6) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(16), one O(24), one O(6), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(13), one O(16), one O(20), and one O(21) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(12), one O(14), one O(15), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(17), one O(19), one O(2), one O(22), one O(24), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(18), one O(23), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(2), and one O(5) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-49°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(7) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. In the third P site, P(3) is bonded to one O(14), one O(16), one O(17), and one O(6) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fourth P site, P(4) is bonded to one O(15), one O(18), one O(21), and one O(22) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fifth P site, P(5) is bonded to one O(11), one O(19), one O(8), and one O(9) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. In the sixth P site, P(6) is bonded to one O(12), one O(20), one O(23), and one O(24) 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, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-50°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal pyramidal geometry to one Li(5), one Li(6), one Mn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(6), one V(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one V(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(4), one V(1), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one V(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(5), one V(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(6), one V(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one V(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted T-shaped geometry to one Li(4), one V(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), one V(3), and one P(6) atom. is represented by the CIF file [CIF]
data_Li6MnV3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.679
_cell_length_c   8.717
_cell_angle_alpha   90.347
_cell_angle_beta   118.852
_cell_angle_gamma   119.089
_symmetry_Int_Tables_number   1
_cell_volume   476.450
_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  0.371  0.110  0.710  1.0
  Li  Li1  1  0.617  0.655  0.679  1.0
  Li  Li2  1  0.369  0.265  0.213  1.0
  Li  Li3  1  0.015  0.635  0.747  1.0
  Li  Li4  1  0.016  0.374  0.248  1.0
  Li  Li5  1  0.617  0.962  0.178  1.0
  Mn  Mn6  1  0.790  0.147  0.857  1.0
  V  V7  1  0.790  0.643  0.358  1.0
  V  V8  1  0.205  0.358  0.640  1.0
  V  V9  1  0.204  0.847  0.139  1.0
  P  P10  1  0.722  0.470  0.954  1.0
  P  P11  1  0.718  0.248  0.455  1.0
  P  P12  1  0.003  0.048  0.255  1.0
  P  P13  1  0.275  0.750  0.538  1.0
  P  P14  1  0.001  0.956  0.754  1.0
  P  P15  1  0.278  0.528  0.042  1.0
  O  O16  1  0.681  0.272  0.917  1.0
  O  O17  1  0.904  0.618  0.939  1.0
  O  O18  1  0.764  0.247  0.647  1.0
  O  O19  1  0.908  0.287  0.444  1.0
  O  O20  1  0.518  0.448  0.794  1.0
  O  O21  1  0.833  0.075  0.102  1.0
  O  O22  1  0.522  0.066  0.295  1.0
  O  O23  1  0.869  0.989  0.806  1.0
  O  O24  1  0.125  0.110  0.695  1.0
  O  O25  1  0.674  0.402  0.416  1.0
  O  O26  1  0.831  0.761  0.601  1.0
  O  O27  1  0.216  0.479  0.842  1.0
  O  O28  1  0.766  0.518  0.145  1.0
  O  O29  1  0.176  0.232  0.419  1.0
  O  O30  1  0.330  0.603  0.583  1.0
  O  O31  1  0.878  0.887  0.309  1.0
  O  O32  1  0.128  0.017  0.193  1.0
  O  O33  1  0.456  0.942  0.680  1.0
  O  O34  1  0.173  0.940  0.918  1.0
  O  O35  1  0.472  0.526  0.184  1.0
  O  O36  1  0.079  0.698  0.545  1.0
  O  O37  1  0.218  0.741  0.341  1.0
  O  O38  1  0.095  0.387  0.059  1.0
  O  O39  1  0.331  0.729  0.085  1.0
[/CIF]
.