The crystal structure described by LiMn2F5 crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra and corners with four equivalent Mn(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-66°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra, corners with four equivalent Mn(2)F5 trigonal bipyramids, and edges with two equivalent Mn(1)F6 octahedra. In the second Mn site, Mn(2) is bonded to one F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted MnF5 trigonal bipyramids that share corners with four equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Mn(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.514
_cell_length_b   8.694
_cell_length_c   8.873
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.508
_cell_formula_units_Z   4
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  0.000  0.244  0.239  1.0
  Li  Li1  1  0.500  0.256  0.739  1.0
  Li  Li2  1  0.500  0.744  0.261  1.0
  Li  Li3  1  0.000  0.756  0.761  1.0
  Mn  Mn4  1  0.252  0.000  0.000  1.0
  Mn  Mn5  1  0.748  0.000  0.000  1.0
  Mn  Mn6  1  0.000  0.141  0.628  1.0
  Mn  Mn7  1  0.500  0.359  0.128  1.0
  Mn  Mn8  1  0.248  0.500  0.500  1.0
  Mn  Mn9  1  0.752  0.500  0.500  1.0
  Mn  Mn10  1  0.500  0.641  0.872  1.0
  Mn  Mn11  1  0.000  0.859  0.372  1.0
  F  F12  1  0.000  0.086  0.864  1.0
  F  F13  1  0.500  0.076  0.861  1.0
  F  F14  1  0.000  0.099  0.393  1.0
  F  F15  1  0.246  0.215  0.124  1.0
  F  F16  1  0.754  0.215  0.124  1.0
  F  F17  1  0.254  0.285  0.624  1.0
  F  F18  1  0.746  0.285  0.624  1.0
  F  F19  1  0.500  0.401  0.893  1.0
  F  F20  1  0.000  0.424  0.361  1.0
  F  F21  1  0.500  0.414  0.364  1.0
  F  F22  1  0.500  0.586  0.636  1.0
  F  F23  1  0.000  0.576  0.639  1.0
  F  F24  1  0.500  0.599  0.107  1.0
  F  F25  1  0.254  0.715  0.376  1.0
  F  F26  1  0.746  0.715  0.376  1.0
  F  F27  1  0.246  0.785  0.876  1.0
  F  F28  1  0.754  0.785  0.876  1.0
  F  F29  1  0.000  0.901  0.607  1.0
  F  F30  1  0.500  0.924  0.139  1.0
  F  F31  1  0.000  0.914  0.136  1.0
[/CIF]
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The crystal structure described by LiMn2F5 crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra and corners with four equivalent Mn(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-66°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra, corners with four equivalent Mn(2)F5 trigonal bipyramids, and edges with two equivalent Mn(1)F6 octahedra. In the second Mn site, Mn(2) is bonded to one F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted MnF5 trigonal bipyramids that share corners with four equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Mn(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.514
_cell_length_b   8.694
_cell_length_c   8.873
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.508
_cell_formula_units_Z   4
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  0.000  0.244  0.239  1.0
  Li  Li1  1  0.500  0.256  0.739  1.0
  Li  Li2  1  0.500  0.744  0.261  1.0
  Li  Li3  1  0.000  0.756  0.761  1.0
  Mn  Mn4  1  0.252  0.000  0.000  1.0
  Mn  Mn5  1  0.748  0.000  0.000  1.0
  Mn  Mn6  1  0.000  0.141  0.628  1.0
  Mn  Mn7  1  0.500  0.359  0.128  1.0
  Mn  Mn8  1  0.248  0.500  0.500  1.0
  Mn  Mn9  1  0.752  0.500  0.500  1.0
  Mn  Mn10  1  0.500  0.641  0.872  1.0
  Mn  Mn11  1  0.000  0.859  0.372  1.0
  F  F12  1  0.000  0.086  0.864  1.0
  F  F13  1  0.500  0.076  0.861  1.0
  F  F14  1  0.000  0.099  0.393  1.0
  F  F15  1  0.246  0.215  0.124  1.0
  F  F16  1  0.754  0.215  0.124  1.0
  F  F17  1  0.254  0.285  0.624  1.0
  F  F18  1  0.746  0.285  0.624  1.0
  F  F19  1  0.500  0.401  0.893  1.0
  F  F20  1  0.000  0.424  0.361  1.0
  F  F21  1  0.500  0.414  0.364  1.0
  F  F22  1  0.500  0.586  0.636  1.0
  F  F23  1  0.000  0.576  0.639  1.0
  F  F24  1  0.500  0.599  0.107  1.0
  F  F25  1  0.254  0.715  0.376  1.0
  F  F26  1  0.746  0.715  0.376  1.0
  F  F27  1  0.246  0.785  0.876  1.0
  F  F28  1  0.754  0.785  0.876  1.0
  F  F29  1  0.000  0.901  0.607  1.0
  F  F30  1  0.500  0.924  0.139  1.0
  F  F31  1  0.000  0.914  0.136  1.0
[/CIF]
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