The structure described by Li4MnF7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with three equivalent Mn(1)F5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(3), one F(4), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with two equivalent Mn(1)F5 trigonal bipyramids. Mn(1) is bonded to one F(4), two equivalent F(1), and two equivalent F(3) atoms to form MnF5 trigonal bipyramids that share corners with four equivalent Li(2)F4 tetrahedra and corners with six equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Li(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li4MnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.690
_cell_length_b   7.690
_cell_length_c   5.414
_cell_angle_alpha   78.980
_cell_angle_beta   78.980
_cell_angle_gamma   71.291
_symmetry_Int_Tables_number   1
_cell_volume   294.754
_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  0.761  0.942  0.330  1.0
  Li  Li1  1  0.942  0.761  0.830  1.0
  Li  Li2  1  0.694  0.579  0.258  1.0
  Li  Li3  1  0.579  0.694  0.758  1.0
  Li  Li4  1  0.421  0.306  0.242  1.0
  Li  Li5  1  0.306  0.421  0.742  1.0
  Li  Li6  1  0.058  0.239  0.170  1.0
  Li  Li7  1  0.239  0.058  0.670  1.0
  Mn  Mn8  1  0.240  0.760  0.250  1.0
  Mn  Mn9  1  0.760  0.240  0.750  1.0
  F  F10  1  0.994  0.813  0.142  1.0
  F  F11  1  0.813  0.994  0.642  1.0
  F  F12  1  0.617  0.786  0.421  1.0
  F  F13  1  0.786  0.617  0.921  1.0
  F  F14  1  0.841  0.337  0.419  1.0
  F  F15  1  0.337  0.841  0.919  1.0
  F  F16  1  0.451  0.549  0.250  1.0
  F  F17  1  0.549  0.451  0.750  1.0
  F  F18  1  0.663  0.159  0.081  1.0
  F  F19  1  0.159  0.663  0.581  1.0
  F  F20  1  0.214  0.383  0.079  1.0
  F  F21  1  0.383  0.214  0.579  1.0
  F  F22  1  0.187  0.006  0.358  1.0
  F  F23  1  0.006  0.187  0.858  1.0
[/CIF]
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The structure described by Li4MnF7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with three equivalent Mn(1)F5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(3), one F(4), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with two equivalent Mn(1)F5 trigonal bipyramids. Mn(1) is bonded to one F(4), two equivalent F(1), and two equivalent F(3) atoms to form MnF5 trigonal bipyramids that share corners with four equivalent Li(2)F4 tetrahedra and corners with six equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Li(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li4MnF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.690
_cell_length_b   7.690
_cell_length_c   5.414
_cell_angle_alpha   78.980
_cell_angle_beta   78.980
_cell_angle_gamma   71.291
_symmetry_Int_Tables_number   1
_cell_volume   294.754
_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  0.761  0.942  0.330  1.0
  Li  Li1  1  0.942  0.761  0.830  1.0
  Li  Li2  1  0.694  0.579  0.258  1.0
  Li  Li3  1  0.579  0.694  0.758  1.0
  Li  Li4  1  0.421  0.306  0.242  1.0
  Li  Li5  1  0.306  0.421  0.742  1.0
  Li  Li6  1  0.058  0.239  0.170  1.0
  Li  Li7  1  0.239  0.058  0.670  1.0
  Mn  Mn8  1  0.240  0.760  0.250  1.0
  Mn  Mn9  1  0.760  0.240  0.750  1.0
  F  F10  1  0.994  0.813  0.142  1.0
  F  F11  1  0.813  0.994  0.642  1.0
  F  F12  1  0.617  0.786  0.421  1.0
  F  F13  1  0.786  0.617  0.921  1.0
  F  F14  1  0.841  0.337  0.419  1.0
  F  F15  1  0.337  0.841  0.919  1.0
  F  F16  1  0.451  0.549  0.250  1.0
  F  F17  1  0.549  0.451  0.750  1.0
  F  F18  1  0.663  0.159  0.081  1.0
  F  F19  1  0.159  0.663  0.581  1.0
  F  F20  1  0.214  0.383  0.079  1.0
  F  F21  1  0.383  0.214  0.579  1.0
  F  F22  1  0.187  0.006  0.358  1.0
  F  F23  1  0.006  0.187  0.858  1.0
[/CIF]
.