The crystal structure described by LiMn2F9 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(12), one F(2), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(2)F6 octahedra and corners with three equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the second Li site, Li(2) is bonded to one F(13), one F(15), one F(18), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(1)F6 octahedra and corners with three equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(3), one F(6), one F(7), one F(8), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra and  a faceface with one Mn(3)F6 octahedra. In the second Mn site, Mn(2) is bonded to one F(10), one F(11), one F(14), one F(16), one F(17), and one F(4) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra and  a faceface with one Mn(4)F6 octahedra. In the third Mn site, Mn(3) is bonded to one F(1), one F(12), one F(2), one F(5), one F(6), and one F(7) atom to form MnF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra and  a faceface with one Mn(1)F6 octahedra. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(13), one F(15), one F(16), one F(17), and one F(18) atom to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra and  a faceface with one Mn(2)F6 octahedra. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(3) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the sixth F site, F(6) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Mn(1) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Mn(2) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(4) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Mn(2) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(4) atom. In the sixteenth F site, F(16) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the seventeenth F site, F(17) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   5.260
_cell_length_c   14.598
_cell_angle_alpha   92.047
_cell_angle_beta   93.586
_cell_angle_gamma   118.718
_symmetry_Int_Tables_number   1
_cell_volume   350.031
_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  0.712  0.025  0.460  1.0
  Li  Li1  1  0.540  0.216  0.962  1.0
  Mn  Mn2  1  0.172  0.172  0.155  1.0
  Mn  Mn3  1  0.672  0.677  0.656  1.0
  Mn  Mn4  1  0.335  0.314  0.339  1.0
  Mn  Mn5  1  0.819  0.839  0.840  1.0
  F  F6  1  0.232  0.970  0.261  1.0
  F  F7  1  0.648  0.315  0.398  1.0
  F  F8  1  0.135  0.417  0.084  1.0
  F  F9  1  0.589  0.888  0.578  1.0
  F  F10  1  0.428  0.668  0.389  1.0
  F  F11  1  0.525  0.473  0.232  1.0
  F  F12  1  0.013  0.282  0.258  1.0
  F  F13  1  0.838  0.873  0.113  1.0
  F  F14  1  0.392  0.097  0.081  1.0
  F  F15  1  0.972  0.029  0.732  1.0
  F  F16  1  0.923  0.649  0.588  1.0
  F  F17  1  0.100  0.121  0.426  1.0
  F  F18  1  0.179  0.935  0.890  1.0
  F  F19  1  0.376  0.341  0.615  1.0
  F  F20  1  0.630  0.602  0.927  1.0
  F  F21  1  0.789  0.521  0.762  1.0
  F  F22  1  0.468  0.731  0.761  1.0
  F  F23  1  0.818  0.146  0.897  1.0
[/CIF]
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The crystal structure described by LiMn2F9 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(12), one F(2), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(2)F6 octahedra and corners with three equivalent Mn(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the second Li site, Li(2) is bonded to one F(13), one F(15), one F(18), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(1)F6 octahedra and corners with three equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-44°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(3), one F(6), one F(7), one F(8), and one F(9) atom to form MnF6 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra and  a faceface with one Mn(3)F6 octahedra. In the second Mn site, Mn(2) is bonded to one F(10), one F(11), one F(14), one F(16), one F(17), and one F(4) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra and  a faceface with one Mn(4)F6 octahedra. In the third Mn site, Mn(3) is bonded to one F(1), one F(12), one F(2), one F(5), one F(6), and one F(7) atom to form MnF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra and  a faceface with one Mn(1)F6 octahedra. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(13), one F(15), one F(16), one F(17), and one F(18) atom to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra and  a faceface with one Mn(2)F6 octahedra. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(3) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the sixth F site, F(6) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Mn(1) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one Mn(2) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(4) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Mn(2) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(4) atom. In the sixteenth F site, F(16) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the seventeenth F site, F(17) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   5.260
_cell_length_c   14.598
_cell_angle_alpha   92.047
_cell_angle_beta   93.586
_cell_angle_gamma   118.718
_symmetry_Int_Tables_number   1
_cell_volume   350.031
_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  0.712  0.025  0.460  1.0
  Li  Li1  1  0.540  0.216  0.962  1.0
  Mn  Mn2  1  0.172  0.172  0.155  1.0
  Mn  Mn3  1  0.672  0.677  0.656  1.0
  Mn  Mn4  1  0.335  0.314  0.339  1.0
  Mn  Mn5  1  0.819  0.839  0.840  1.0
  F  F6  1  0.232  0.970  0.261  1.0
  F  F7  1  0.648  0.315  0.398  1.0
  F  F8  1  0.135  0.417  0.084  1.0
  F  F9  1  0.589  0.888  0.578  1.0
  F  F10  1  0.428  0.668  0.389  1.0
  F  F11  1  0.525  0.473  0.232  1.0
  F  F12  1  0.013  0.282  0.258  1.0
  F  F13  1  0.838  0.873  0.113  1.0
  F  F14  1  0.392  0.097  0.081  1.0
  F  F15  1  0.972  0.029  0.732  1.0
  F  F16  1  0.923  0.649  0.588  1.0
  F  F17  1  0.100  0.121  0.426  1.0
  F  F18  1  0.179  0.935  0.890  1.0
  F  F19  1  0.376  0.341  0.615  1.0
  F  F20  1  0.630  0.602  0.927  1.0
  F  F21  1  0.789  0.521  0.762  1.0
  F  F22  1  0.468  0.731  0.761  1.0
  F  F23  1  0.818  0.146  0.897  1.0
[/CIF]
.