The material described by Li2VMnP2(O4F)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(8), one O(9), and one F(3) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), one O(9), and one F(2) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(1)O4F square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(10), one O(12), two equivalent O(4), and one F(1) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(4), one O(9), one F(1), and one F(2) atom to form VO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(2)O4F square pyramid, and edges with two equivalent Li(3)O4F square pyramids. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(2)O4F square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(3), one O(8), one F(1), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Li(1)O4F square pyramids, corners with two equivalent Li(3)O4F square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Mn site, Mn(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(3) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O4F square pyramids, and edges with two equivalent Li(2)O4F square pyramids. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, and  an edgeedge with one Li(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 34-55°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Li(3)O4F square pyramids, and  an edgeedge with one Li(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-54°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, and  an edgeedge with one Li(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), 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(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li2MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   10.353
_cell_length_c   10.525
_cell_angle_alpha   78.748
_cell_angle_beta   83.846
_cell_angle_gamma   80.290
_symmetry_Int_Tables_number   1
_cell_volume   550.183
_cell_formula_units_Z   3
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  0.661  0.749  0.565  1.0
  Li  Li1  1  0.339  0.251  0.435  1.0
  Li  Li2  1  0.998  0.578  0.766  1.0
  Li  Li3  1  0.332  0.086  0.898  1.0
  Li  Li4  1  0.002  0.422  0.234  1.0
  Li  Li5  1  0.668  0.914  0.102  1.0
  Mn  Mn6  1  0.165  0.833  0.335  1.0
  Mn  Mn7  1  0.000  0.500  0.500  1.0
  Mn  Mn8  1  0.835  0.167  0.665  1.0
  V  V9  1  0.663  0.832  0.835  1.0
  V  V10  1  0.500  0.500  0.000  1.0
  V  V11  1  0.337  0.168  0.165  1.0
  P  P12  1  0.479  0.460  0.697  1.0
  P  P13  1  0.521  0.540  0.303  1.0
  P  P14  1  0.149  0.795  0.035  1.0
  P  P15  1  0.178  0.871  0.634  1.0
  P  P16  1  0.822  0.129  0.366  1.0
  P  P17  1  0.851  0.205  0.965  1.0
  O  O18  1  0.403  0.807  0.722  1.0
  O  O19  1  0.643  0.510  0.168  1.0
  O  O20  1  0.548  0.310  0.698  1.0
  O  O21  1  0.452  0.690  0.302  1.0
  O  O22  1  0.597  0.193  0.278  1.0
  O  O23  1  0.611  0.131  0.013  1.0
  O  O24  1  0.255  0.527  0.608  1.0
  O  O25  1  0.283  0.465  0.346  1.0
  O  O26  1  0.357  0.490  0.832  1.0
  O  O27  1  0.216  0.645  0.036  1.0
  O  O28  1  0.302  0.840  0.500  1.0
  O  O29  1  0.938  0.797  0.681  1.0
  O  O30  1  0.389  0.869  0.987  1.0
  O  O31  1  0.027  0.827  0.169  1.0
  O  O32  1  0.112  0.021  0.633  1.0
  O  O33  1  0.973  0.173  0.831  1.0
  O  O34  1  0.062  0.203  0.319  1.0
  O  O35  1  0.077  0.142  0.053  1.0
  O  O36  1  0.717  0.535  0.654  1.0
  O  O37  1  0.745  0.473  0.392  1.0
  O  O38  1  0.888  0.979  0.367  1.0
  O  O39  1  0.784  0.355  0.964  1.0
  O  O40  1  0.698  0.160  0.500  1.0
  O  O41  1  0.923  0.858  0.947  1.0
  F  F42  1  0.592  0.026  0.773  1.0
  F  F43  1  0.408  0.974  0.227  1.0
  F  F44  1  0.268  0.366  0.104  1.0
  F  F45  1  0.077  0.303  0.562  1.0
  F  F46  1  0.923  0.697  0.438  1.0
  F  F47  1  0.732  0.634  0.896  1.0
[/CIF]
.
The material described by Li2VMnP2(O4F)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(8), one O(9), and one F(3) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), one O(9), and one F(2) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(1)O4F square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(10), one O(12), two equivalent O(4), and one F(1) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(4), one O(9), one F(1), and one F(2) atom to form VO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(2)O4F square pyramid, and edges with two equivalent Li(3)O4F square pyramids. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(2)O4F square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(3), one O(8), one F(1), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Li(1)O4F square pyramids, corners with two equivalent Li(3)O4F square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Mn site, Mn(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent F(3) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O4F square pyramids, and edges with two equivalent Li(2)O4F square pyramids. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, and  an edgeedge with one Li(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 34-55°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Li(3)O4F square pyramids, and  an edgeedge with one Li(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-54°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(2)O4F square pyramid, and  an edgeedge with one Li(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), 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(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li2MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   10.353
_cell_length_c   10.525
_cell_angle_alpha   78.748
_cell_angle_beta   83.846
_cell_angle_gamma   80.290
_symmetry_Int_Tables_number   1
_cell_volume   550.183
_cell_formula_units_Z   3
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  0.661  0.749  0.565  1.0
  Li  Li1  1  0.339  0.251  0.435  1.0
  Li  Li2  1  0.998  0.578  0.766  1.0
  Li  Li3  1  0.332  0.086  0.898  1.0
  Li  Li4  1  0.002  0.422  0.234  1.0
  Li  Li5  1  0.668  0.914  0.102  1.0
  Mn  Mn6  1  0.165  0.833  0.335  1.0
  Mn  Mn7  1  0.000  0.500  0.500  1.0
  Mn  Mn8  1  0.835  0.167  0.665  1.0
  V  V9  1  0.663  0.832  0.835  1.0
  V  V10  1  0.500  0.500  0.000  1.0
  V  V11  1  0.337  0.168  0.165  1.0
  P  P12  1  0.479  0.460  0.697  1.0
  P  P13  1  0.521  0.540  0.303  1.0
  P  P14  1  0.149  0.795  0.035  1.0
  P  P15  1  0.178  0.871  0.634  1.0
  P  P16  1  0.822  0.129  0.366  1.0
  P  P17  1  0.851  0.205  0.965  1.0
  O  O18  1  0.403  0.807  0.722  1.0
  O  O19  1  0.643  0.510  0.168  1.0
  O  O20  1  0.548  0.310  0.698  1.0
  O  O21  1  0.452  0.690  0.302  1.0
  O  O22  1  0.597  0.193  0.278  1.0
  O  O23  1  0.611  0.131  0.013  1.0
  O  O24  1  0.255  0.527  0.608  1.0
  O  O25  1  0.283  0.465  0.346  1.0
  O  O26  1  0.357  0.490  0.832  1.0
  O  O27  1  0.216  0.645  0.036  1.0
  O  O28  1  0.302  0.840  0.500  1.0
  O  O29  1  0.938  0.797  0.681  1.0
  O  O30  1  0.389  0.869  0.987  1.0
  O  O31  1  0.027  0.827  0.169  1.0
  O  O32  1  0.112  0.021  0.633  1.0
  O  O33  1  0.973  0.173  0.831  1.0
  O  O34  1  0.062  0.203  0.319  1.0
  O  O35  1  0.077  0.142  0.053  1.0
  O  O36  1  0.717  0.535  0.654  1.0
  O  O37  1  0.745  0.473  0.392  1.0
  O  O38  1  0.888  0.979  0.367  1.0
  O  O39  1  0.784  0.355  0.964  1.0
  O  O40  1  0.698  0.160  0.500  1.0
  O  O41  1  0.923  0.858  0.947  1.0
  F  F42  1  0.592  0.026  0.773  1.0
  F  F43  1  0.408  0.974  0.227  1.0
  F  F44  1  0.268  0.366  0.104  1.0
  F  F45  1  0.077  0.303  0.562  1.0
  F  F46  1  0.923  0.697  0.438  1.0
  F  F47  1  0.732  0.634  0.896  1.0
[/CIF]
.