The material described by Li4Mn3F10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(4), one F(5), and two equivalent F(6) atoms to form LiF5 trigonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(1)F7 pentagonal bipyramids, corners with two equivalent Li(2)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F6 octahedra, edges with two equivalent Mn(1)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-28°. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid, corners with two equivalent Li(1)F5 trigonal bipyramids, corners with two equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent Mn(1)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid, and  a faceface with one Mn(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 61-72°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(2)F6 octahedra, corners with two equivalent Mn(1)F7 pentagonal bipyramids,  a cornercorner with one Li(2)F5 trigonal bipyramid, corners with two equivalent Li(1)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F6 octahedra,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, edges with two equivalent Li(1)F5 trigonal bipyramids, edges with two equivalent Li(2)F5 trigonal bipyramids, and  a faceface with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 36°. In the second Mn site, Mn(2) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F7 pentagonal bipyramids, corners with four equivalent Li(1)F5 trigonal bipyramids, corners with four equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent Mn(1)F7 pentagonal bipyramids, and edges with two equivalent Li(1)F5 trigonal bipyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted square co-planar geometry to two equivalent Li(2) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted square co-planar geometry to two equivalent Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing FLi3Mn2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li4Mn3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.506
_cell_length_c   7.741
_cell_angle_alpha   71.247
_cell_angle_beta   74.315
_cell_angle_gamma   78.065
_symmetry_Int_Tables_number   1
_cell_volume   200.177
_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
  Li  Li0  1  0.991  0.704  0.348  1.0
  Li  Li1  1  0.508  0.638  0.204  1.0
  Li  Li2  1  0.492  0.362  0.796  1.0
  Li  Li3  1  0.009  0.296  0.652  1.0
  Mn  Mn4  1  0.178  0.241  0.144  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.822  0.759  0.856  1.0
  F  F7  1  0.894  0.597  0.156  1.0
  F  F8  1  0.500  0.500  0.000  1.0
  F  F9  1  0.500  0.000  0.000  1.0
  F  F10  1  0.829  0.056  0.268  1.0
  F  F11  1  0.301  0.850  0.359  1.0
  F  F12  1  0.247  0.362  0.390  1.0
  F  F13  1  0.753  0.638  0.610  1.0
  F  F14  1  0.699  0.150  0.641  1.0
  F  F15  1  0.171  0.944  0.732  1.0
  F  F16  1  0.106  0.403  0.844  1.0
[/CIF]
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The material described by Li4Mn3F10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(4), one F(5), and two equivalent F(6) atoms to form LiF5 trigonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(1)F7 pentagonal bipyramids, corners with two equivalent Li(2)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F6 octahedra, edges with two equivalent Mn(1)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-28°. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Mn(2)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid, corners with two equivalent Li(1)F5 trigonal bipyramids, corners with two equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent Mn(1)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid, and  a faceface with one Mn(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 61-72°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(1) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(2)F6 octahedra, corners with two equivalent Mn(1)F7 pentagonal bipyramids,  a cornercorner with one Li(2)F5 trigonal bipyramid, corners with two equivalent Li(1)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F6 octahedra,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, edges with two equivalent Li(1)F5 trigonal bipyramids, edges with two equivalent Li(2)F5 trigonal bipyramids, and  a faceface with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 36°. In the second Mn site, Mn(2) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F7 pentagonal bipyramids, corners with four equivalent Li(1)F5 trigonal bipyramids, corners with four equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent Mn(1)F7 pentagonal bipyramids, and edges with two equivalent Li(1)F5 trigonal bipyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted square co-planar geometry to two equivalent Li(2) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted square co-planar geometry to two equivalent Li(2) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing FLi3Mn2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li4Mn3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.506
_cell_length_c   7.741
_cell_angle_alpha   71.247
_cell_angle_beta   74.315
_cell_angle_gamma   78.065
_symmetry_Int_Tables_number   1
_cell_volume   200.177
_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
  Li  Li0  1  0.991  0.704  0.348  1.0
  Li  Li1  1  0.508  0.638  0.204  1.0
  Li  Li2  1  0.492  0.362  0.796  1.0
  Li  Li3  1  0.009  0.296  0.652  1.0
  Mn  Mn4  1  0.178  0.241  0.144  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.822  0.759  0.856  1.0
  F  F7  1  0.894  0.597  0.156  1.0
  F  F8  1  0.500  0.500  0.000  1.0
  F  F9  1  0.500  0.000  0.000  1.0
  F  F10  1  0.829  0.056  0.268  1.0
  F  F11  1  0.301  0.850  0.359  1.0
  F  F12  1  0.247  0.362  0.390  1.0
  F  F13  1  0.753  0.638  0.610  1.0
  F  F14  1  0.699  0.150  0.641  1.0
  F  F15  1  0.171  0.944  0.732  1.0
  F  F16  1  0.106  0.403  0.844  1.0
[/CIF]
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