The 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 rectangular see-saw-like geometry to one O(18), one O(20), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(24), one O(3), one O(4), and one O(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(17), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(17), one O(19), one O(6), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(15), one O(17), one O(21), and one O(22) atom. In the sixth Li site, Li(6) is bonded in a rectangular see-saw-like geometry to one O(18), one O(20), one O(5), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(21), one O(23), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(14), one O(16), one O(3), one O(7), 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(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(11), one O(15), one O(16), one O(18), one O(22), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. Mn(1) is bonded to one O(19), one O(2), one O(20), one O(23), one O(24), and one O(4) atom to form distorted 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(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(3), one O(4), 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 54-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the fifth P site, P(5) is bonded to one O(17), one O(18), 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(3)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the sixth P site, P(6) is bonded to one O(14), one O(19), 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 53-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(5), 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 distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one V(1), and one P(3) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(7)Li2VP tetrahedra, corners with two equivalent O(18)Li2VP trigonal pyramids, and  an edgeedge with one O(20)Li2MnP trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one V(2), and one P(2) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(5)Li2VP tetrahedra, corners with two equivalent O(20)Li2MnP trigonal pyramids, and  an edgeedge with one O(18)Li2VP trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Li(5), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(6), one V(3), and one P(5) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(5)Li2VP tetrahedra, corners with two equivalent O(20)Li2MnP trigonal pyramids, and  an edgeedge with one O(7)Li2VP tetrahedra. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(1), one Li(6), one Mn(1), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2MnP trigonal pyramids. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one V(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one V(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(5) atom. is represented by the CIF file [CIF]
data_Li6MnV3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   8.595
_cell_length_c   8.668
_cell_angle_alpha   94.347
_cell_angle_beta   106.011
_cell_angle_gamma   105.957
_symmetry_Int_Tables_number   1
_cell_volume   433.080
_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  0.252  0.995  0.004  1.0
  Li  Li1  1  0.751  0.715  0.290  1.0
  Li  Li2  1  0.501  0.499  0.500  1.0
  Li  Li3  1  0.998  0.497  0.500  1.0
  Li  Li4  1  0.247  0.288  0.710  1.0
  Li  Li5  1  0.748  0.008  0.997  1.0
  Mn  Mn6  1  0.634  0.060  0.374  1.0
  V  V7  1  0.359  0.942  0.621  1.0
  V  V8  1  0.863  0.621  0.943  1.0
  V  V9  1  0.139  0.381  0.057  1.0
  P  P10  1  0.251  0.714  0.287  1.0
  P  P11  1  0.863  0.860  0.664  1.0
  P  P12  1  0.365  0.661  0.862  1.0
  P  P13  1  0.634  0.339  0.132  1.0
  P  P14  1  0.136  0.138  0.340  1.0
  P  P15  1  0.749  0.285  0.714  1.0
  O  O16  1  0.088  0.986  0.658  1.0
  O  O17  1  0.672  0.945  0.615  1.0
  O  O18  1  0.035  0.743  0.172  1.0
  O  O19  1  0.473  0.828  0.263  1.0
  O  O20  1  0.393  0.845  0.842  1.0
  O  O21  1  0.231  0.736  0.462  1.0
  O  O22  1  0.906  0.839  0.848  1.0
  O  O23  1  0.795  0.702  0.545  1.0
  O  O24  1  0.178  0.602  0.951  1.0
  O  O25  1  0.594  0.661  0.986  1.0
  O  O26  1  0.267  0.537  0.262  1.0
  O  O27  1  0.295  0.543  0.704  1.0
  O  O28  1  0.703  0.452  0.294  1.0
  O  O29  1  0.732  0.462  0.738  1.0
  O  O30  1  0.407  0.346  0.011  1.0
  O  O31  1  0.825  0.403  0.047  1.0
  O  O32  1  0.204  0.297  0.457  1.0
  O  O33  1  0.112  0.161  0.158  1.0
  O  O34  1  0.771  0.262  0.539  1.0
  O  O35  1  0.602  0.154  0.142  1.0
  O  O36  1  0.531  0.172  0.741  1.0
  O  O37  1  0.965  0.258  0.831  1.0
  O  O38  1  0.326  0.049  0.401  1.0
  O  O39  1  0.905  0.012  0.336  1.0
[/CIF]
.
The 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 rectangular see-saw-like geometry to one O(18), one O(20), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(24), one O(3), one O(4), and one O(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(17), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(17), one O(19), one O(6), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(15), one O(17), one O(21), and one O(22) atom. In the sixth Li site, Li(6) is bonded in a rectangular see-saw-like geometry to one O(18), one O(20), one O(5), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(21), one O(23), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(14), one O(16), one O(3), one O(7), 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(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(11), one O(15), one O(16), one O(18), one O(22), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. Mn(1) is bonded to one O(19), one O(2), one O(20), one O(23), one O(24), and one O(4) atom to form distorted 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(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(3), one O(4), 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 54-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the fifth P site, P(5) is bonded to one O(17), one O(18), 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(3)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the sixth P site, P(6) is bonded to one O(14), one O(19), 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 53-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(5), 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 distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(6), one V(1), and one P(3) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(7)Li2VP tetrahedra, corners with two equivalent O(18)Li2VP trigonal pyramids, and  an edgeedge with one O(20)Li2MnP trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one V(2), and one P(2) atom to form distorted OLi2VP tetrahedra that share corners with two equivalent O(5)Li2VP tetrahedra, corners with two equivalent O(20)Li2MnP trigonal pyramids, and  an edgeedge with one O(18)Li2VP trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Li(5), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(6), one V(3), and one P(5) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(5)Li2VP tetrahedra, corners with two equivalent O(20)Li2MnP trigonal pyramids, and  an edgeedge with one O(7)Li2VP tetrahedra. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(1), one Li(6), one Mn(1), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2MnP trigonal pyramids. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one V(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one V(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(5) atom. is represented by the CIF file [CIF]
data_Li6MnV3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   8.595
_cell_length_c   8.668
_cell_angle_alpha   94.347
_cell_angle_beta   106.011
_cell_angle_gamma   105.957
_symmetry_Int_Tables_number   1
_cell_volume   433.080
_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  0.252  0.995  0.004  1.0
  Li  Li1  1  0.751  0.715  0.290  1.0
  Li  Li2  1  0.501  0.499  0.500  1.0
  Li  Li3  1  0.998  0.497  0.500  1.0
  Li  Li4  1  0.247  0.288  0.710  1.0
  Li  Li5  1  0.748  0.008  0.997  1.0
  Mn  Mn6  1  0.634  0.060  0.374  1.0
  V  V7  1  0.359  0.942  0.621  1.0
  V  V8  1  0.863  0.621  0.943  1.0
  V  V9  1  0.139  0.381  0.057  1.0
  P  P10  1  0.251  0.714  0.287  1.0
  P  P11  1  0.863  0.860  0.664  1.0
  P  P12  1  0.365  0.661  0.862  1.0
  P  P13  1  0.634  0.339  0.132  1.0
  P  P14  1  0.136  0.138  0.340  1.0
  P  P15  1  0.749  0.285  0.714  1.0
  O  O16  1  0.088  0.986  0.658  1.0
  O  O17  1  0.672  0.945  0.615  1.0
  O  O18  1  0.035  0.743  0.172  1.0
  O  O19  1  0.473  0.828  0.263  1.0
  O  O20  1  0.393  0.845  0.842  1.0
  O  O21  1  0.231  0.736  0.462  1.0
  O  O22  1  0.906  0.839  0.848  1.0
  O  O23  1  0.795  0.702  0.545  1.0
  O  O24  1  0.178  0.602  0.951  1.0
  O  O25  1  0.594  0.661  0.986  1.0
  O  O26  1  0.267  0.537  0.262  1.0
  O  O27  1  0.295  0.543  0.704  1.0
  O  O28  1  0.703  0.452  0.294  1.0
  O  O29  1  0.732  0.462  0.738  1.0
  O  O30  1  0.407  0.346  0.011  1.0
  O  O31  1  0.825  0.403  0.047  1.0
  O  O32  1  0.204  0.297  0.457  1.0
  O  O33  1  0.112  0.161  0.158  1.0
  O  O34  1  0.771  0.262  0.539  1.0
  O  O35  1  0.602  0.154  0.142  1.0
  O  O36  1  0.531  0.172  0.741  1.0
  O  O37  1  0.965  0.258  0.831  1.0
  O  O38  1  0.326  0.049  0.401  1.0
  O  O39  1  0.905  0.012  0.336  1.0
[/CIF]
.