The structure described by Li4MnF7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(4), one F(5), one F(6), and two equivalent F(7) atoms to form distorted LiF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Li(3)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, and  a faceface with one Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(7), and two equivalent F(5) atoms. In the third Li site, Li(3) is bonded to one F(1), one F(2), one F(5), one F(7), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Li(4)F6 octahedra,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra,  a faceface with one Li(1)F6 octahedra, and  a faceface with one Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the fourth Li site, Li(4) is bonded to one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Li(3)F6 octahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and  a faceface with one Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. 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(6) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Li(3)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Mn site, Mn(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(7) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Li(4)F6 octahedra, and edges with two equivalent Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one Mn(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Mn(2) atom. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Li(3), and two equivalent Li(4) atoms to form distorted FLi5 trigonal bipyramids that share  a cornercorner with one F(5)Li5 trigonal bipyramid, corners with two equivalent F(7)Li4Mn trigonal bipyramids,  an edgeedge with one F(7)Li4Mn trigonal bipyramid, edges with two equivalent F(4)Li5 trigonal bipyramids, and edges with two equivalent F(5)Li5 trigonal bipyramids. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(4), and two equivalent Li(2) atoms to form distorted FLi5 trigonal bipyramids that share  a cornercorner with one F(7)Li4Mn trigonal bipyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid,  an edgeedge with one F(5)Li5 trigonal bipyramid, edges with two equivalent F(7)Li4Mn trigonal bipyramids, and edges with two equivalent F(4)Li5 trigonal bipyramids. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(4), and one Mn(1) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Mn(2) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one F(7)Li4Mn trigonal bipyramid,  a cornercorner with one F(5)Li5 trigonal bipyramid, corners with two equivalent F(4)Li5 trigonal bipyramids,  an edgeedge with one F(7)Li4Mn trigonal bipyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and edges with two equivalent F(5)Li5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li4MnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   7.042
_cell_length_c   7.494
_cell_angle_alpha   62.701
_cell_angle_beta   69.532
_cell_angle_gamma   76.391
_symmetry_Int_Tables_number   1
_cell_volume   249.446
_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
  Li  Li0  1  0.168  0.545  0.307  1.0
  Li  Li1  1  0.534  0.276  0.624  1.0
  Li  Li2  1  0.154  0.531  0.813  1.0
  Li  Li3  1  0.516  0.289  0.148  1.0
  Li  Li4  1  0.484  0.711  0.852  1.0
  Li  Li5  1  0.846  0.469  0.187  1.0
  Li  Li6  1  0.466  0.724  0.376  1.0
  Li  Li7  1  0.832  0.455  0.693  1.0
  Mn  Mn8  1  0.000  0.000  0.000  1.0
  Mn  Mn9  1  0.000  0.000  0.500  1.0
  F  F10  1  0.183  0.242  0.807  1.0
  F  F11  1  0.900  0.116  0.246  1.0
  F  F12  1  0.340  0.025  0.347  1.0
  F  F13  1  0.225  0.478  0.066  1.0
  F  F14  1  0.492  0.433  0.346  1.0
  F  F15  1  0.292  0.838  0.071  1.0
  F  F16  1  0.077  0.676  0.518  1.0
  F  F17  1  0.923  0.324  0.482  1.0
  F  F18  1  0.708  0.162  0.929  1.0
  F  F19  1  0.508  0.567  0.654  1.0
  F  F20  1  0.775  0.522  0.934  1.0
  F  F21  1  0.660  0.975  0.653  1.0
  F  F22  1  0.100  0.884  0.754  1.0
  F  F23  1  0.817  0.758  0.193  1.0
[/CIF]
.
The structure described by Li4MnF7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(4), one F(5), one F(6), and two equivalent F(7) atoms to form distorted LiF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Li(3)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, edges with two equivalent Li(4)F6 octahedra, and  a faceface with one Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(7), and two equivalent F(5) atoms. In the third Li site, Li(3) is bonded to one F(1), one F(2), one F(5), one F(7), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Li(4)F6 octahedra,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra,  a faceface with one Li(1)F6 octahedra, and  a faceface with one Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the fourth Li site, Li(4) is bonded to one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form distorted LiF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Li(3)F6 octahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and  a faceface with one Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. 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(6) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Li(3)F6 octahedra, edges with two equivalent Li(1)F6 octahedra, and edges with two equivalent Li(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Mn site, Mn(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(7) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Li(4)F6 octahedra, and edges with two equivalent Li(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one Mn(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one Mn(2) atom. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Li(3), and two equivalent Li(4) atoms to form distorted FLi5 trigonal bipyramids that share  a cornercorner with one F(5)Li5 trigonal bipyramid, corners with two equivalent F(7)Li4Mn trigonal bipyramids,  an edgeedge with one F(7)Li4Mn trigonal bipyramid, edges with two equivalent F(4)Li5 trigonal bipyramids, and edges with two equivalent F(5)Li5 trigonal bipyramids. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(4), and two equivalent Li(2) atoms to form distorted FLi5 trigonal bipyramids that share  a cornercorner with one F(7)Li4Mn trigonal bipyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid,  an edgeedge with one F(5)Li5 trigonal bipyramid, edges with two equivalent F(7)Li4Mn trigonal bipyramids, and edges with two equivalent F(4)Li5 trigonal bipyramids. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(4), and one Mn(1) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Mn(2) atom to form distorted FLi4Mn trigonal bipyramids that share  a cornercorner with one F(7)Li4Mn trigonal bipyramid,  a cornercorner with one F(5)Li5 trigonal bipyramid, corners with two equivalent F(4)Li5 trigonal bipyramids,  an edgeedge with one F(7)Li4Mn trigonal bipyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and edges with two equivalent F(5)Li5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li4MnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   7.042
_cell_length_c   7.494
_cell_angle_alpha   62.701
_cell_angle_beta   69.532
_cell_angle_gamma   76.391
_symmetry_Int_Tables_number   1
_cell_volume   249.446
_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
  Li  Li0  1  0.168  0.545  0.307  1.0
  Li  Li1  1  0.534  0.276  0.624  1.0
  Li  Li2  1  0.154  0.531  0.813  1.0
  Li  Li3  1  0.516  0.289  0.148  1.0
  Li  Li4  1  0.484  0.711  0.852  1.0
  Li  Li5  1  0.846  0.469  0.187  1.0
  Li  Li6  1  0.466  0.724  0.376  1.0
  Li  Li7  1  0.832  0.455  0.693  1.0
  Mn  Mn8  1  0.000  0.000  0.000  1.0
  Mn  Mn9  1  0.000  0.000  0.500  1.0
  F  F10  1  0.183  0.242  0.807  1.0
  F  F11  1  0.900  0.116  0.246  1.0
  F  F12  1  0.340  0.025  0.347  1.0
  F  F13  1  0.225  0.478  0.066  1.0
  F  F14  1  0.492  0.433  0.346  1.0
  F  F15  1  0.292  0.838  0.071  1.0
  F  F16  1  0.077  0.676  0.518  1.0
  F  F17  1  0.923  0.324  0.482  1.0
  F  F18  1  0.708  0.162  0.929  1.0
  F  F19  1  0.508  0.567  0.654  1.0
  F  F20  1  0.775  0.522  0.934  1.0
  F  F21  1  0.660  0.975  0.653  1.0
  F  F22  1  0.100  0.884  0.754  1.0
  F  F23  1  0.817  0.758  0.193  1.0
[/CIF]
.