The material structure described by Li2VMn(PO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(23), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(1), one O(17), one O(19), and one O(22) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-68°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(14), one O(21), one O(24), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(19), one O(20), one O(24), one O(3), and one O(4) 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,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(1), one O(15), one O(21), one O(22), 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(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,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(17), one O(23), one O(7), and one O(9) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(2), and one O(8) 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(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(2), one O(3), 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-47°. 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  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. 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  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(15), and one O(19) 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 34-51°. In the fifth P site, P(5) is bonded to one O(16), one O(17), one O(20), and one O(21) 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-46°. In the sixth P site, P(6) is bonded to one O(18), one O(22), 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) 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(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), 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 bent 150 degrees geometry to one V(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(2) 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. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(3), one V(1), and one P(4) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(4), one V(2), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(6) atom. is represented by the CIF card [CIF]
data_Li2MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.981
_cell_length_b   8.258
_cell_length_c   8.365
_cell_angle_alpha   60.137
_cell_angle_beta   63.855
_cell_angle_gamma   91.216
_symmetry_Int_Tables_number   1
_cell_volume   459.343
_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  0.375  0.192  0.368  1.0
  Li  Li1  1  0.866  0.679  0.061  1.0
  Li  Li2  1  0.885  0.928  0.375  1.0
  Li  Li3  1  0.879  0.249  0.811  1.0
  Mn  Mn4  1  0.564  0.861  0.285  1.0
  Mn  Mn5  1  0.430  0.136  0.725  1.0
  V  V6  1  0.048  0.356  0.299  1.0
  V  V7  1  0.964  0.652  0.691  1.0
  P  P8  1  0.249  0.050  0.208  1.0
  P  P9  1  0.251  0.465  0.496  1.0
  P  P10  1  0.254  0.751  0.792  1.0
  P  P11  1  0.754  0.249  0.207  1.0
  P  P12  1  0.748  0.531  0.505  1.0
  P  P13  1  0.753  0.958  0.777  1.0
  O  O14  1  0.101  0.846  0.379  1.0
  O  O15  1  0.263  0.133  0.995  1.0
  O  O16  1  0.194  0.185  0.293  1.0
  O  O17  1  0.186  0.492  0.344  1.0
  O  O18  1  0.100  0.466  0.686  1.0
  O  O19  1  0.099  0.775  0.743  1.0
  O  O20  1  0.419  0.034  0.211  1.0
  O  O21  1  0.281  0.263  0.588  1.0
  O  O22  1  0.422  0.628  0.368  1.0
  O  O23  1  0.182  0.538  0.999  1.0
  O  O24  1  0.262  0.894  0.857  1.0
  O  O25  1  0.418  0.786  0.603  1.0
  O  O26  1  0.579  0.210  0.390  1.0
  O  O27  1  0.743  0.114  0.129  1.0
  O  O28  1  0.819  0.467  0.012  1.0
  O  O29  1  0.575  0.372  0.640  1.0
  O  O30  1  0.734  0.739  0.392  1.0
  O  O31  1  0.578  0.973  0.799  1.0
  O  O32  1  0.893  0.203  0.275  1.0
  O  O33  1  0.886  0.516  0.319  1.0
  O  O34  1  0.817  0.508  0.656  1.0
  O  O35  1  0.820  0.831  0.686  1.0
  O  O36  1  0.746  0.871  0.993  1.0
  O  O37  1  0.894  0.169  0.617  1.0
[/CIF]
.
The material structure described by Li2VMn(PO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(23), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(1), one O(17), one O(19), and one O(22) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-68°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(14), one O(21), one O(24), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(19), one O(20), one O(24), one O(3), and one O(4) 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,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(1), one O(15), one O(21), one O(22), 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(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,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(17), one O(23), one O(7), and one O(9) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(2), and one O(8) 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(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(2), one O(3), 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-47°. 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  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. 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  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(15), and one O(19) 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 34-51°. In the fifth P site, P(5) is bonded to one O(16), one O(17), one O(20), and one O(21) 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-46°. In the sixth P site, P(6) is bonded to one O(18), one O(22), 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 Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) 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(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), 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 bent 150 degrees geometry to one V(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(2) 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. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(3), one V(1), and one P(4) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(4), one V(2), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(6) atom. is represented by the CIF card [CIF]
data_Li2MnV(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.981
_cell_length_b   8.258
_cell_length_c   8.365
_cell_angle_alpha   60.137
_cell_angle_beta   63.855
_cell_angle_gamma   91.216
_symmetry_Int_Tables_number   1
_cell_volume   459.343
_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  0.375  0.192  0.368  1.0
  Li  Li1  1  0.866  0.679  0.061  1.0
  Li  Li2  1  0.885  0.928  0.375  1.0
  Li  Li3  1  0.879  0.249  0.811  1.0
  Mn  Mn4  1  0.564  0.861  0.285  1.0
  Mn  Mn5  1  0.430  0.136  0.725  1.0
  V  V6  1  0.048  0.356  0.299  1.0
  V  V7  1  0.964  0.652  0.691  1.0
  P  P8  1  0.249  0.050  0.208  1.0
  P  P9  1  0.251  0.465  0.496  1.0
  P  P10  1  0.254  0.751  0.792  1.0
  P  P11  1  0.754  0.249  0.207  1.0
  P  P12  1  0.748  0.531  0.505  1.0
  P  P13  1  0.753  0.958  0.777  1.0
  O  O14  1  0.101  0.846  0.379  1.0
  O  O15  1  0.263  0.133  0.995  1.0
  O  O16  1  0.194  0.185  0.293  1.0
  O  O17  1  0.186  0.492  0.344  1.0
  O  O18  1  0.100  0.466  0.686  1.0
  O  O19  1  0.099  0.775  0.743  1.0
  O  O20  1  0.419  0.034  0.211  1.0
  O  O21  1  0.281  0.263  0.588  1.0
  O  O22  1  0.422  0.628  0.368  1.0
  O  O23  1  0.182  0.538  0.999  1.0
  O  O24  1  0.262  0.894  0.857  1.0
  O  O25  1  0.418  0.786  0.603  1.0
  O  O26  1  0.579  0.210  0.390  1.0
  O  O27  1  0.743  0.114  0.129  1.0
  O  O28  1  0.819  0.467  0.012  1.0
  O  O29  1  0.575  0.372  0.640  1.0
  O  O30  1  0.734  0.739  0.392  1.0
  O  O31  1  0.578  0.973  0.799  1.0
  O  O32  1  0.893  0.203  0.275  1.0
  O  O33  1  0.886  0.516  0.319  1.0
  O  O34  1  0.817  0.508  0.656  1.0
  O  O35  1  0.820  0.831  0.686  1.0
  O  O36  1  0.746  0.871  0.993  1.0
  O  O37  1  0.894  0.169  0.617  1.0
[/CIF]
.