The crystal structure described by Li3Mn2F9 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(16), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with two equivalent Li(5)F4 tetrahedra and  a cornercorner with one Li(2)F5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one F(15), one F(18), one F(2), one F(4), and one F(7) atom to form distorted corner-sharing LiF5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one F(10), one F(2), one F(5), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Li(4)F4 tetrahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  a cornercorner with one Mn(4)F5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one F(14), one F(17), one F(5), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Li(3)F4 tetrahedra,  a cornercorner with one Li(6)F5 trigonal bipyramid, and corners with three equivalent Mn(4)F5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one F(11), one F(13), one F(16), and one F(8) atom to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra and  a cornercorner with one Li(6)F5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one F(1), one F(12), one F(13), one F(17), and one F(6) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra, and corners with three equivalent Mn(4)F5 trigonal bipyramids. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one F(10), one F(15), one F(2), one F(5), and one F(7) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one F(11), one F(15), one F(18), one F(3), one F(4), and one F(7) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one F(1), one F(12), one F(13), one F(16), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(14), one F(17), one F(6), and one F(9) atom to form distorted MnF5 trigonal bipyramids that share  a cornercorner with one Li(3)F4 tetrahedra, corners with three equivalent Li(4)F4 tetrahedra, and corners with three equivalent Li(6)F5 trigonal bipyramids. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(6), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(3), and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(2) 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(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(5) and one Mn(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Li(3) and one Mn(1) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(5), and one Mn(2) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Li(6) and one Mn(3) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Li(6), and one Mn(3) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Li(4) and one Mn(4) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Li(1), one Li(5), and one Mn(3) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Li(6), and one Mn(4) atom. In the eighteenth F site, F(18) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.329
_cell_length_c   15.177
_cell_angle_alpha   92.085
_cell_angle_beta   93.169
_cell_angle_gamma   118.376
_symmetry_Int_Tables_number   1
_cell_volume   375.463
_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  0.249  0.978  0.546  1.0
  Li  Li1  1  0.386  0.100  0.754  1.0
  Li  Li2  1  0.558  0.233  0.955  1.0
  Li  Li3  1  0.469  0.743  0.042  1.0
  Li  Li4  1  0.725  0.041  0.452  1.0
  Li  Li5  1  0.595  0.881  0.254  1.0
  Mn  Mn6  1  0.831  0.831  0.852  1.0
  Mn  Mn7  1  0.652  0.690  0.651  1.0
  Mn  Mn8  1  0.323  0.320  0.350  1.0
  Mn  Mn9  1  0.187  0.154  0.150  1.0
  F  F10  1  0.487  0.469  0.231  1.0
  F  F11  1  0.257  0.975  0.873  1.0
  F  F12  1  0.918  0.666  0.584  1.0
  F  F13  1  0.393  0.289  0.633  1.0
  F  F14  1  0.625  0.619  0.946  1.0
  F  F15  1  0.256  0.945  0.237  1.0
  F  F16  1  0.732  0.485  0.786  1.0
  F  F17  1  0.646  0.335  0.406  1.0
  F  F18  1  0.404  0.061  0.061  1.0
  F  F19  1  0.849  0.154  0.904  1.0
  F  F20  1  0.561  0.899  0.558  1.0
  F  F21  1  0.974  0.232  0.286  1.0
  F  F22  1  0.475  0.742  0.371  1.0
  F  F23  1  0.153  0.409  0.079  1.0
  F  F24  1  0.966  0.997  0.735  1.0
  F  F25  1  0.112  0.112  0.445  1.0
  F  F26  1  0.791  0.885  0.130  1.0
  F  F27  1  0.427  0.754  0.731  1.0
[/CIF]
.
The crystal structure described by Li3Mn2F9 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(11), one F(16), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with two equivalent Li(5)F4 tetrahedra and  a cornercorner with one Li(2)F5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one F(15), one F(18), one F(2), one F(4), and one F(7) atom to form distorted corner-sharing LiF5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one F(10), one F(2), one F(5), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Li(4)F4 tetrahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  a cornercorner with one Mn(4)F5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one F(14), one F(17), one F(5), and one F(9) atom to form LiF4 tetrahedra that share corners with two equivalent Li(3)F4 tetrahedra,  a cornercorner with one Li(6)F5 trigonal bipyramid, and corners with three equivalent Mn(4)F5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one F(11), one F(13), one F(16), and one F(8) atom to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra and  a cornercorner with one Li(6)F5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one F(1), one F(12), one F(13), one F(17), and one F(6) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one Li(4)F4 tetrahedra,  a cornercorner with one Li(5)F4 tetrahedra, and corners with three equivalent Mn(4)F5 trigonal bipyramids. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one F(10), one F(15), one F(2), one F(5), and one F(7) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one F(11), one F(15), one F(18), one F(3), one F(4), and one F(7) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one F(1), one F(12), one F(13), one F(16), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(14), one F(17), one F(6), and one F(9) atom to form distorted MnF5 trigonal bipyramids that share  a cornercorner with one Li(3)F4 tetrahedra, corners with three equivalent Li(4)F4 tetrahedra, and corners with three equivalent Li(6)F5 trigonal bipyramids. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(6), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(3), and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(2) 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(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(5) and one Mn(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Li(3) and one Mn(1) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(5), and one Mn(2) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Li(6) and one Mn(3) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Li(6), and one Mn(3) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Li(4) and one Mn(4) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Li(1), one Li(5), and one Mn(3) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Li(6), and one Mn(4) atom. In the eighteenth F site, F(18) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.329
_cell_length_c   15.177
_cell_angle_alpha   92.085
_cell_angle_beta   93.169
_cell_angle_gamma   118.376
_symmetry_Int_Tables_number   1
_cell_volume   375.463
_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  0.249  0.978  0.546  1.0
  Li  Li1  1  0.386  0.100  0.754  1.0
  Li  Li2  1  0.558  0.233  0.955  1.0
  Li  Li3  1  0.469  0.743  0.042  1.0
  Li  Li4  1  0.725  0.041  0.452  1.0
  Li  Li5  1  0.595  0.881  0.254  1.0
  Mn  Mn6  1  0.831  0.831  0.852  1.0
  Mn  Mn7  1  0.652  0.690  0.651  1.0
  Mn  Mn8  1  0.323  0.320  0.350  1.0
  Mn  Mn9  1  0.187  0.154  0.150  1.0
  F  F10  1  0.487  0.469  0.231  1.0
  F  F11  1  0.257  0.975  0.873  1.0
  F  F12  1  0.918  0.666  0.584  1.0
  F  F13  1  0.393  0.289  0.633  1.0
  F  F14  1  0.625  0.619  0.946  1.0
  F  F15  1  0.256  0.945  0.237  1.0
  F  F16  1  0.732  0.485  0.786  1.0
  F  F17  1  0.646  0.335  0.406  1.0
  F  F18  1  0.404  0.061  0.061  1.0
  F  F19  1  0.849  0.154  0.904  1.0
  F  F20  1  0.561  0.899  0.558  1.0
  F  F21  1  0.974  0.232  0.286  1.0
  F  F22  1  0.475  0.742  0.371  1.0
  F  F23  1  0.153  0.409  0.079  1.0
  F  F24  1  0.966  0.997  0.735  1.0
  F  F25  1  0.112  0.112  0.445  1.0
  F  F26  1  0.791  0.885  0.130  1.0
  F  F27  1  0.427  0.754  0.731  1.0
[/CIF]
.