The 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(11), one F(16), one F(2), and one F(3) atom to form distorted 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 28-69°. In the second Li site, Li(2) is bonded to one F(14), one F(17), one F(18), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra and corners with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-65°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(12), one F(14), one F(17), one F(4), one F(7), and one F(8) atom to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra and  a faceface with one Mn(2)F6 octahedra. In the second Mn site, Mn(2) is bonded to one F(12), one F(15), one F(2), one F(4), one F(6), and one F(7) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra and  a faceface with one Mn(1)F6 octahedra. In the third Mn site, Mn(3) is bonded to one F(10), one F(11), one F(13), one F(16), one F(3), and one F(5) atom to form MnF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra and  a faceface with one Mn(4)F6 octahedra. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(10), one F(13), one F(18), one F(5), 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. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Mn(2) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Mn(4) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Mn(3) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the twelfth F site, F(12) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the thirteenth F site, F(13) is bonded in an L-shaped geometry to one Mn(3) and one Mn(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one Mn(2) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the eighteenth F site, F(18) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(4) atom. is represented by the CIF card [CIF]
data_LiMn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.476
_cell_length_c   13.789
_cell_angle_alpha   91.568
_cell_angle_beta   90.449
_cell_angle_gamma   118.922
_symmetry_Int_Tables_number   1
_cell_volume   354.882
_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  0.976  0.295  0.539  1.0
  Li  Li1  1  0.187  0.689  0.036  1.0
  Mn  Mn2  1  0.848  0.027  0.159  1.0
  Mn  Mn3  1  0.664  0.018  0.343  1.0
  Mn  Mn4  1  0.318  0.974  0.660  1.0
  Mn  Mn5  1  0.149  0.982  0.846  1.0
  F  F6  1  0.929  0.125  0.873  1.0
  F  F7  1  0.772  0.317  0.423  1.0
  F  F8  1  0.689  0.137  0.634  1.0
  F  F9  1  0.629  0.182  0.218  1.0
  F  F10  1  0.949  0.815  0.718  1.0
  F  F11  1  0.755  0.850  0.433  1.0
  F  F12  1  0.610  0.736  0.244  1.0
  F  F13  1  0.597  0.849  0.061  1.0
  F  F14  1  0.404  0.163  0.939  1.0
  F  F15  1  0.369  0.264  0.753  1.0
  F  F16  1  0.235  0.149  0.568  1.0
  F  F17  1  0.043  0.179  0.281  1.0
  F  F18  1  0.372  0.826  0.779  1.0
  F  F19  1  0.062  0.330  0.091  1.0
  F  F20  1  0.303  0.866  0.368  1.0
  F  F21  1  0.232  0.671  0.585  1.0
  F  F22  1  0.062  0.866  0.131  1.0
  F  F23  1  0.973  0.682  0.919  1.0
[/CIF]
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The 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(11), one F(16), one F(2), and one F(3) atom to form distorted 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 28-69°. In the second Li site, Li(2) is bonded to one F(14), one F(17), one F(18), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Mn(4)F6 octahedra and corners with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 22-65°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(12), one F(14), one F(17), one F(4), one F(7), and one F(8) atom to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra and  a faceface with one Mn(2)F6 octahedra. In the second Mn site, Mn(2) is bonded to one F(12), one F(15), one F(2), one F(4), one F(6), and one F(7) atom to form MnF6 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra and  a faceface with one Mn(1)F6 octahedra. In the third Mn site, Mn(3) is bonded to one F(10), one F(11), one F(13), one F(16), one F(3), and one F(5) atom to form MnF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra and  a faceface with one Mn(4)F6 octahedra. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(10), one F(13), one F(18), one F(5), 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. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(4) atom. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Mn(2) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Mn(4) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Mn(3) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the twelfth F site, F(12) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the thirteenth F site, F(13) is bonded in an L-shaped geometry to one Mn(3) and one Mn(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the fifteenth F site, F(15) is bonded in a single-bond geometry to one Mn(2) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(3) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one Li(2) and one Mn(1) atom. In the eighteenth F site, F(18) is bonded in a bent 120 degrees geometry to one Li(2) and one Mn(4) atom. is represented by the CIF card [CIF]
data_LiMn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.476
_cell_length_c   13.789
_cell_angle_alpha   91.568
_cell_angle_beta   90.449
_cell_angle_gamma   118.922
_symmetry_Int_Tables_number   1
_cell_volume   354.882
_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  0.976  0.295  0.539  1.0
  Li  Li1  1  0.187  0.689  0.036  1.0
  Mn  Mn2  1  0.848  0.027  0.159  1.0
  Mn  Mn3  1  0.664  0.018  0.343  1.0
  Mn  Mn4  1  0.318  0.974  0.660  1.0
  Mn  Mn5  1  0.149  0.982  0.846  1.0
  F  F6  1  0.929  0.125  0.873  1.0
  F  F7  1  0.772  0.317  0.423  1.0
  F  F8  1  0.689  0.137  0.634  1.0
  F  F9  1  0.629  0.182  0.218  1.0
  F  F10  1  0.949  0.815  0.718  1.0
  F  F11  1  0.755  0.850  0.433  1.0
  F  F12  1  0.610  0.736  0.244  1.0
  F  F13  1  0.597  0.849  0.061  1.0
  F  F14  1  0.404  0.163  0.939  1.0
  F  F15  1  0.369  0.264  0.753  1.0
  F  F16  1  0.235  0.149  0.568  1.0
  F  F17  1  0.043  0.179  0.281  1.0
  F  F18  1  0.372  0.826  0.779  1.0
  F  F19  1  0.062  0.330  0.091  1.0
  F  F20  1  0.303  0.866  0.368  1.0
  F  F21  1  0.232  0.671  0.585  1.0
  F  F22  1  0.062  0.866  0.131  1.0
  F  F23  1  0.973  0.682  0.919  1.0
[/CIF]
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