The material structure described by Li2MnF5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with four equivalent Mn(1)F5 trigonal bipyramids, and  an edgeedge with one Li(2)F4 tetrahedra. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(1)F4 tetrahedra, corners with four equivalent Mn(1)F5 trigonal bipyramids, and  an edgeedge with one Li(1)F4 tetrahedra. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form MnF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra and corners with four equivalent Li(2)F4 tetrahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   6.352
_cell_length_c   6.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.028
_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
  F  F0  1  0.196  0.045  0.730  1.0
  F  F1  1  0.196  0.455  0.730  1.0
  F  F2  1  0.213  0.250  0.300  1.0
  F  F3  1  0.284  0.750  0.477  1.0
  F  F4  1  0.276  0.750  0.014  1.0
  F  F5  1  0.716  0.250  0.977  1.0
  F  F6  1  0.724  0.250  0.514  1.0
  F  F7  1  0.787  0.750  0.800  1.0
  F  F8  1  0.804  0.955  0.230  1.0
  F  F9  1  0.804  0.545  0.230  1.0
  Li  Li10  1  0.092  0.750  0.254  1.0
  Li  Li11  1  0.351  0.250  0.549  1.0
  Li  Li12  1  0.649  0.750  0.049  1.0
  Li  Li13  1  0.908  0.250  0.754  1.0
  Mn  Mn14  1  0.184  0.750  0.737  1.0
  Mn  Mn15  1  0.816  0.250  0.237  1.0
[/CIF]
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The material structure described by Li2MnF5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(2)F4 tetrahedra, corners with four equivalent Mn(1)F5 trigonal bipyramids, and  an edgeedge with one Li(2)F4 tetrahedra. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(1)F4 tetrahedra, corners with four equivalent Mn(1)F5 trigonal bipyramids, and  an edgeedge with one Li(1)F4 tetrahedra. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form MnF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra and corners with four equivalent Li(2)F4 tetrahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.939
_cell_length_b   6.352
_cell_length_c   6.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.028
_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
  F  F0  1  0.196  0.045  0.730  1.0
  F  F1  1  0.196  0.455  0.730  1.0
  F  F2  1  0.213  0.250  0.300  1.0
  F  F3  1  0.284  0.750  0.477  1.0
  F  F4  1  0.276  0.750  0.014  1.0
  F  F5  1  0.716  0.250  0.977  1.0
  F  F6  1  0.724  0.250  0.514  1.0
  F  F7  1  0.787  0.750  0.800  1.0
  F  F8  1  0.804  0.955  0.230  1.0
  F  F9  1  0.804  0.545  0.230  1.0
  Li  Li10  1  0.092  0.750  0.254  1.0
  Li  Li11  1  0.351  0.250  0.549  1.0
  Li  Li12  1  0.649  0.750  0.049  1.0
  Li  Li13  1  0.908  0.250  0.754  1.0
  Mn  Mn14  1  0.184  0.750  0.737  1.0
  Mn  Mn15  1  0.816  0.250  0.237  1.0
[/CIF]
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