The material described by Li2VMnP2(O4F)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), 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(1)O4 tetrahedra, edges with two equivalent V(1)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 51-61°. V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O4F square pyramids. The corner-sharing octahedral tilt angles are 49°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(1)O4F square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Li(1)O4F square pyramids, and  an edgeedge with one Li(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), 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(1), one V(1), and one P(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.315
_cell_length_c   7.454
_cell_angle_alpha   70.450
_cell_angle_beta   74.870
_cell_angle_gamma   97.810
_symmetry_Int_Tables_number   1
_cell_volume   183.573
_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
  F  F0  1  0.881  0.671  0.255  1.0
  F  F1  1  0.119  0.329  0.745  1.0
  Li  Li2  1  0.917  0.572  0.812  1.0
  Li  Li3  1  0.083  0.428  0.188  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.715  0.837  0.911  1.0
  O  O6  1  0.284  0.163  0.089  1.0
  O  O7  1  0.636  0.177  0.609  1.0
  O  O8  1  0.364  0.823  0.391  1.0
  O  O9  1  0.644  0.678  0.657  1.0
  O  O10  1  0.356  0.322  0.343  1.0
  O  O11  1  0.759  0.220  0.120  1.0
  O  O12  1  0.241  0.780  0.880  1.0
  P  P13  1  0.553  0.877  0.761  1.0
  P  P14  1  0.447  0.123  0.239  1.0
  V  V15  1  1.000  0.000  1.000  1.0
[/CIF]
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The material described by Li2VMnP2(O4F)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), 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(1)O4 tetrahedra, edges with two equivalent V(1)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 51-61°. V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O4F square pyramids. The corner-sharing octahedral tilt angles are 49°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(1)O4F square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Li(1)O4F square pyramids, and  an edgeedge with one Li(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), 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(1), one V(1), and one P(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.315
_cell_length_c   7.454
_cell_angle_alpha   70.450
_cell_angle_beta   74.870
_cell_angle_gamma   97.810
_symmetry_Int_Tables_number   1
_cell_volume   183.573
_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
  F  F0  1  0.881  0.671  0.255  1.0
  F  F1  1  0.119  0.329  0.745  1.0
  Li  Li2  1  0.917  0.572  0.812  1.0
  Li  Li3  1  0.083  0.428  0.188  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.715  0.837  0.911  1.0
  O  O6  1  0.284  0.163  0.089  1.0
  O  O7  1  0.636  0.177  0.609  1.0
  O  O8  1  0.364  0.823  0.391  1.0
  O  O9  1  0.644  0.678  0.657  1.0
  O  O10  1  0.356  0.322  0.343  1.0
  O  O11  1  0.759  0.220  0.120  1.0
  O  O12  1  0.241  0.780  0.880  1.0
  P  P13  1  0.553  0.877  0.761  1.0
  P  P14  1  0.447  0.123  0.239  1.0
  V  V15  1  1.000  0.000  1.000  1.0
[/CIF]
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