The compound described by Li2MnF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with three equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(3), one F(4), and three equivalent F(5) atoms. Mn(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with three equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) 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 4-coordinate geometry to one Li(2), two equivalent Li(1), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1) and three equivalent Li(2) atoms. is represented by the CIF file [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   7.416
_cell_length_c   9.929
_cell_angle_alpha   70.284
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.053
_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  0.745  0.472  0.255  1.0
  Li  Li1  1  0.755  0.972  0.255  1.0
  Li  Li2  1  0.302  0.377  0.519  1.0
  Li  Li3  1  0.802  0.123  0.481  1.0
  Li  Li4  1  0.198  0.877  0.519  1.0
  Li  Li5  1  0.698  0.623  0.481  1.0
  Li  Li6  1  0.245  0.028  0.745  1.0
  Li  Li7  1  0.255  0.528  0.745  1.0
  Mn  Mn8  1  0.245  0.214  0.143  1.0
  Mn  Mn9  1  0.255  0.714  0.143  1.0
  Mn  Mn10  1  0.745  0.286  0.857  1.0
  Mn  Mn11  1  0.755  0.786  0.857  1.0
  F  F12  1  0.576  0.167  0.035  1.0
  F  F13  1  0.924  0.667  0.035  1.0
  F  F14  1  0.409  0.461  0.143  1.0
  F  F15  1  0.091  0.961  0.143  1.0
  F  F16  1  0.927  0.241  0.244  1.0
  F  F17  1  0.421  0.082  0.308  1.0
  F  F18  1  0.573  0.741  0.244  1.0
  F  F19  1  0.079  0.582  0.308  1.0
  F  F20  1  0.643  0.371  0.447  1.0
  F  F21  1  0.857  0.871  0.447  1.0
  F  F22  1  0.143  0.129  0.553  1.0
  F  F23  1  0.357  0.629  0.553  1.0
  F  F24  1  0.921  0.418  0.692  1.0
  F  F25  1  0.427  0.259  0.756  1.0
  F  F26  1  0.579  0.918  0.692  1.0
  F  F27  1  0.073  0.759  0.756  1.0
  F  F28  1  0.909  0.039  0.857  1.0
  F  F29  1  0.591  0.539  0.857  1.0
  F  F30  1  0.076  0.333  0.965  1.0
  F  F31  1  0.424  0.833  0.965  1.0
[/CIF]
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The compound described by Li2MnF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with three equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(3), one F(4), and three equivalent F(5) atoms. Mn(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share corners with three equivalent Li(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) 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 4-coordinate geometry to one Li(2), two equivalent Li(1), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1) and three equivalent Li(2) atoms. is represented by the CIF file [CIF]
data_Li2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   7.416
_cell_length_c   9.929
_cell_angle_alpha   70.284
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.053
_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  0.745  0.472  0.255  1.0
  Li  Li1  1  0.755  0.972  0.255  1.0
  Li  Li2  1  0.302  0.377  0.519  1.0
  Li  Li3  1  0.802  0.123  0.481  1.0
  Li  Li4  1  0.198  0.877  0.519  1.0
  Li  Li5  1  0.698  0.623  0.481  1.0
  Li  Li6  1  0.245  0.028  0.745  1.0
  Li  Li7  1  0.255  0.528  0.745  1.0
  Mn  Mn8  1  0.245  0.214  0.143  1.0
  Mn  Mn9  1  0.255  0.714  0.143  1.0
  Mn  Mn10  1  0.745  0.286  0.857  1.0
  Mn  Mn11  1  0.755  0.786  0.857  1.0
  F  F12  1  0.576  0.167  0.035  1.0
  F  F13  1  0.924  0.667  0.035  1.0
  F  F14  1  0.409  0.461  0.143  1.0
  F  F15  1  0.091  0.961  0.143  1.0
  F  F16  1  0.927  0.241  0.244  1.0
  F  F17  1  0.421  0.082  0.308  1.0
  F  F18  1  0.573  0.741  0.244  1.0
  F  F19  1  0.079  0.582  0.308  1.0
  F  F20  1  0.643  0.371  0.447  1.0
  F  F21  1  0.857  0.871  0.447  1.0
  F  F22  1  0.143  0.129  0.553  1.0
  F  F23  1  0.357  0.629  0.553  1.0
  F  F24  1  0.921  0.418  0.692  1.0
  F  F25  1  0.427  0.259  0.756  1.0
  F  F26  1  0.579  0.918  0.692  1.0
  F  F27  1  0.073  0.759  0.756  1.0
  F  F28  1  0.909  0.039  0.857  1.0
  F  F29  1  0.591  0.539  0.857  1.0
  F  F30  1  0.076  0.333  0.965  1.0
  F  F31  1  0.424  0.833  0.965  1.0
[/CIF]
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