The material described by Li3VMn(PO4)3 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), 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 two equivalent O(11), two equivalent O(12), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(12), two equivalent O(6), and two equivalent O(8) atoms. V(1) is bonded to one O(10), one O(11), one O(3), one O(7), and two equivalent O(9) atoms to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are three 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 corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. 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(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. 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 Mn(1)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent 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(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 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 two equivalent Li(1), one Mn(1), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share corners with four equivalent O(7)Li2VP tetrahedra and  an edgeedge with one O(5)Li2MnP trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded to two equivalent Li(1), one V(1), and one P(2) atom to form distorted OLi2VP tetrahedra that share corners with four equivalent O(5)Li2MnP trigonal pyramids and  an edgeedge with one O(7)Li2VP tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like 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 two equivalent V(1) 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(1), 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(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), 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   8.636
_cell_length_b   8.706
_cell_length_c   6.322
_cell_angle_alpha   74.641
_cell_angle_beta   106.131
_cell_angle_gamma   84.425
_symmetry_Int_Tables_number   1
_cell_volume   432.745
_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  0.006  0.003  0.747  1.0
  Li  Li1  1  0.287  0.290  0.248  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.713  0.710  0.752  1.0
  Li  Li5  1  0.994  0.997  0.253  1.0
  Mn  Mn6  1  0.059  0.629  0.632  1.0
  Mn  Mn7  1  0.941  0.371  0.368  1.0
  V  V8  1  0.380  0.944  0.139  1.0
  V  V9  1  0.620  0.056  0.861  1.0
  P  P10  1  0.283  0.289  0.749  1.0
  P  P11  1  0.141  0.664  0.136  1.0
  P  P12  1  0.338  0.867  0.635  1.0
  P  P13  1  0.662  0.133  0.365  1.0
  P  P14  1  0.859  0.336  0.864  1.0
  P  P15  1  0.717  0.711  0.251  1.0
  O  O16  1  0.015  0.661  0.905  1.0
  O  O17  1  0.053  0.612  0.326  1.0
  O  O18  1  0.257  0.174  0.965  1.0
  O  O19  1  0.172  0.265  0.524  1.0
  O  O20  1  0.154  0.857  0.605  1.0
  O  O21  1  0.259  0.463  0.772  1.0
  O  O22  1  0.159  0.847  0.102  1.0
  O  O23  1  0.300  0.546  0.206  1.0
  O  O24  1  0.403  0.952  0.827  1.0
  O  O25  1  0.341  0.989  0.407  1.0
  O  O26  1  0.460  0.264  0.732  1.0
  O  O27  1  0.453  0.706  0.703  1.0
  O  O28  1  0.547  0.294  0.297  1.0
  O  O29  1  0.540  0.736  0.268  1.0
  O  O30  1  0.659  0.011  0.593  1.0
  O  O31  1  0.597  0.048  0.173  1.0
  O  O32  1  0.700  0.454  0.794  1.0
  O  O33  1  0.841  0.153  0.898  1.0
  O  O34  1  0.741  0.537  0.228  1.0
  O  O35  1  0.846  0.143  0.395  1.0
  O  O36  1  0.828  0.735  0.476  1.0
  O  O37  1  0.743  0.826  0.035  1.0
  O  O38  1  0.947  0.388  0.674  1.0
  O  O39  1  0.985  0.339  0.095  1.0
[/CIF]
.
The material described by Li3VMn(PO4)3 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), 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 two equivalent O(11), two equivalent O(12), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(12), two equivalent O(6), and two equivalent O(8) atoms. V(1) is bonded to one O(10), one O(11), one O(3), one O(7), and two equivalent O(9) atoms to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are three 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 corners with two equivalent V(1)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. 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(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. 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 Mn(1)O6 octahedra and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent 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(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 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 two equivalent Li(1), one Mn(1), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share corners with four equivalent O(7)Li2VP tetrahedra and  an edgeedge with one O(5)Li2MnP trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded to two equivalent Li(1), one V(1), and one P(2) atom to form distorted OLi2VP tetrahedra that share corners with four equivalent O(5)Li2MnP trigonal pyramids and  an edgeedge with one O(7)Li2VP tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like 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 two equivalent V(1) 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(1), 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(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), 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   8.636
_cell_length_b   8.706
_cell_length_c   6.322
_cell_angle_alpha   74.641
_cell_angle_beta   106.131
_cell_angle_gamma   84.425
_symmetry_Int_Tables_number   1
_cell_volume   432.745
_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  0.006  0.003  0.747  1.0
  Li  Li1  1  0.287  0.290  0.248  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  0.713  0.710  0.752  1.0
  Li  Li5  1  0.994  0.997  0.253  1.0
  Mn  Mn6  1  0.059  0.629  0.632  1.0
  Mn  Mn7  1  0.941  0.371  0.368  1.0
  V  V8  1  0.380  0.944  0.139  1.0
  V  V9  1  0.620  0.056  0.861  1.0
  P  P10  1  0.283  0.289  0.749  1.0
  P  P11  1  0.141  0.664  0.136  1.0
  P  P12  1  0.338  0.867  0.635  1.0
  P  P13  1  0.662  0.133  0.365  1.0
  P  P14  1  0.859  0.336  0.864  1.0
  P  P15  1  0.717  0.711  0.251  1.0
  O  O16  1  0.015  0.661  0.905  1.0
  O  O17  1  0.053  0.612  0.326  1.0
  O  O18  1  0.257  0.174  0.965  1.0
  O  O19  1  0.172  0.265  0.524  1.0
  O  O20  1  0.154  0.857  0.605  1.0
  O  O21  1  0.259  0.463  0.772  1.0
  O  O22  1  0.159  0.847  0.102  1.0
  O  O23  1  0.300  0.546  0.206  1.0
  O  O24  1  0.403  0.952  0.827  1.0
  O  O25  1  0.341  0.989  0.407  1.0
  O  O26  1  0.460  0.264  0.732  1.0
  O  O27  1  0.453  0.706  0.703  1.0
  O  O28  1  0.547  0.294  0.297  1.0
  O  O29  1  0.540  0.736  0.268  1.0
  O  O30  1  0.659  0.011  0.593  1.0
  O  O31  1  0.597  0.048  0.173  1.0
  O  O32  1  0.700  0.454  0.794  1.0
  O  O33  1  0.841  0.153  0.898  1.0
  O  O34  1  0.741  0.537  0.228  1.0
  O  O35  1  0.846  0.143  0.395  1.0
  O  O36  1  0.828  0.735  0.476  1.0
  O  O37  1  0.743  0.826  0.035  1.0
  O  O38  1  0.947  0.388  0.674  1.0
  O  O39  1  0.985  0.339  0.095  1.0
[/CIF]
.