The structure described by Li2Mn7F16 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one F(4) and three equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent F(2) atoms to form distorted MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(4) is bonded to one Li(1) and three equivalent Mn(2) atoms to form a mixture of corner and edge-sharing FLiMn3 tetrahedra. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to three equivalent Mn(2) atoms. In the third F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(3) is bonded to four equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent F(4)LiMn3 tetrahedra, corners with six equivalent F(3)Mn4 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and edges with three equivalent F(3)Mn4 tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn7F16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.587
_cell_length_b   9.587
_cell_length_c   9.587
_cell_angle_alpha   39.743
_cell_angle_beta   39.743
_cell_angle_gamma   39.743
_symmetry_Int_Tables_number   1
_cell_volume   324.409
_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  0.666  0.666  0.666  1.0
  Li  Li1  1  0.334  0.334  0.334  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.111  0.480  0.745  1.0
  Mn  Mn4  1  0.520  0.255  0.889  1.0
  Mn  Mn5  1  0.255  0.889  0.520  1.0
  Mn  Mn6  1  0.745  0.111  0.480  1.0
  Mn  Mn7  1  0.480  0.745  0.111  1.0
  Mn  Mn8  1  0.889  0.520  0.255  1.0
  F  F9  1  0.763  0.763  0.763  1.0
  F  F10  1  0.005  0.348  0.755  1.0
  F  F11  1  0.154  0.595  0.841  1.0
  F  F12  1  0.405  0.159  0.846  1.0
  F  F13  1  0.652  0.245  0.995  1.0
  F  F14  1  0.245  0.995  0.652  1.0
  F  F15  1  0.159  0.846  0.405  1.0
  F  F16  1  0.584  0.584  0.584  1.0
  F  F17  1  0.416  0.416  0.416  1.0
  F  F18  1  0.841  0.154  0.595  1.0
  F  F19  1  0.755  0.005  0.348  1.0
  F  F20  1  0.348  0.755  0.005  1.0
  F  F21  1  0.595  0.841  0.154  1.0
  F  F22  1  0.846  0.405  0.159  1.0
  F  F23  1  0.995  0.652  0.245  1.0
  F  F24  1  0.237  0.237  0.237  1.0
[/CIF]
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The structure described by Li2Mn7F16 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one F(4) and three equivalent F(2) atoms to form distorted LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent F(2) atoms to form distorted MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(4) is bonded to one Li(1) and three equivalent Mn(2) atoms to form a mixture of corner and edge-sharing FLiMn3 tetrahedra. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to three equivalent Mn(2) atoms. In the third F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(3) is bonded to four equivalent Mn(2) atoms to form FMn4 tetrahedra that share corners with two equivalent F(4)LiMn3 tetrahedra, corners with six equivalent F(3)Mn4 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and edges with three equivalent F(3)Mn4 tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn7F16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.587
_cell_length_b   9.587
_cell_length_c   9.587
_cell_angle_alpha   39.743
_cell_angle_beta   39.743
_cell_angle_gamma   39.743
_symmetry_Int_Tables_number   1
_cell_volume   324.409
_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  0.666  0.666  0.666  1.0
  Li  Li1  1  0.334  0.334  0.334  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.111  0.480  0.745  1.0
  Mn  Mn4  1  0.520  0.255  0.889  1.0
  Mn  Mn5  1  0.255  0.889  0.520  1.0
  Mn  Mn6  1  0.745  0.111  0.480  1.0
  Mn  Mn7  1  0.480  0.745  0.111  1.0
  Mn  Mn8  1  0.889  0.520  0.255  1.0
  F  F9  1  0.763  0.763  0.763  1.0
  F  F10  1  0.005  0.348  0.755  1.0
  F  F11  1  0.154  0.595  0.841  1.0
  F  F12  1  0.405  0.159  0.846  1.0
  F  F13  1  0.652  0.245  0.995  1.0
  F  F14  1  0.245  0.995  0.652  1.0
  F  F15  1  0.159  0.846  0.405  1.0
  F  F16  1  0.584  0.584  0.584  1.0
  F  F17  1  0.416  0.416  0.416  1.0
  F  F18  1  0.841  0.154  0.595  1.0
  F  F19  1  0.755  0.005  0.348  1.0
  F  F20  1  0.348  0.755  0.005  1.0
  F  F21  1  0.595  0.841  0.154  1.0
  F  F22  1  0.846  0.405  0.159  1.0
  F  F23  1  0.995  0.652  0.245  1.0
  F  F24  1  0.237  0.237  0.237  1.0
[/CIF]
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