The compound described by LiMnF3 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(10), one F(17), one F(3), one F(4), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(5)F7 pentagonal bipyramid, corners with three equivalent Li(2)F5 trigonal bipyramids, corners with three equivalent Li(5)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, and  an edgeedge with one Mn(4)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the second Li site, Li(2) is bonded to one F(10), one F(17), one F(5), one F(6), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(5)F7 pentagonal bipyramid, corners with three equivalent Li(1)F5 trigonal bipyramids, corners with three equivalent Li(5)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, and  an edgeedge with one Mn(4)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the third Li site, Li(3) is bonded to one F(12), one F(14), one F(18), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(4)F7 pentagonal bipyramid, corners with three equivalent Li(4)F5 trigonal bipyramids, corners with three equivalent Li(6)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, and  an edgeedge with one Mn(5)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the fourth Li site, Li(4) is bonded to one F(11), one F(13), one F(18), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(4)F7 pentagonal bipyramid, corners with three equivalent Li(3)F5 trigonal bipyramids, corners with three equivalent Li(6)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, and  an edgeedge with one Mn(5)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the fifth Li site, Li(5) is bonded to one F(10), one F(15), one F(16), one F(17), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(5)F7 pentagonal bipyramid, corners with three equivalent Li(1)F5 trigonal bipyramids, corners with three equivalent Li(2)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, and  an edgeedge with one Mn(4)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the sixth Li site, Li(6) is bonded to one F(1), one F(18), one F(2), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(4)F7 pentagonal bipyramid, corners with three equivalent Li(3)F5 trigonal bipyramids, corners with three equivalent Li(4)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, and  an edgeedge with one Mn(5)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(13), one F(14), one F(15), one F(2), one F(3), one F(5), and one F(8) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(1)F5 trigonal bipyramid,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(5)F5 trigonal bipyramid, edges with three equivalent Mn(4)F7 pentagonal bipyramids,  an edgeedge with one Li(3)F5 trigonal bipyramid,  an edgeedge with one Li(4)F5 trigonal bipyramid, and  an edgeedge with one Li(6)F5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one F(1), one F(11), one F(12), one F(16), one F(4), one F(6), and one F(7) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(3)F5 trigonal bipyramid,  a cornercorner with one Li(4)F5 trigonal bipyramid,  a cornercorner with one Li(6)F5 trigonal bipyramid, edges with three equivalent Mn(3)F6 octahedra, edges with three equivalent Mn(5)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid,  an edgeedge with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(5)F5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one F(1), one F(11), one F(12), one F(16), one F(4), and one F(6) atom to form distorted MnF6 octahedra that share  a cornercorner with one Li(1)F5 trigonal bipyramid,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(3)F5 trigonal bipyramid,  a cornercorner with one Li(4)F5 trigonal bipyramid,  a cornercorner with one Li(5)F5 trigonal bipyramid,  a cornercorner with one Li(6)F5 trigonal bipyramid, edges with three equivalent Mn(2)F7 pentagonal bipyramids, and edges with three equivalent Mn(5)F7 pentagonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one F(13), one F(14), one F(15), one F(17), one F(2), one F(3), and one F(5) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(3)F5 trigonal bipyramid,  a cornercorner with one Li(4)F5 trigonal bipyramid,  a cornercorner with one Li(6)F5 trigonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid,  an edgeedge with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(5)F5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one F(1), one F(11), one F(12), one F(16), one F(18), one F(4), and one F(6) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(1)F5 trigonal bipyramid,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(5)F5 trigonal bipyramid, edges with three equivalent Mn(3)F6 octahedra, edges with three equivalent Mn(2)F7 pentagonal bipyramids,  an edgeedge with one Li(3)F5 trigonal bipyramid,  an edgeedge with one Li(4)F5 trigonal bipyramid, and  an edgeedge with one Li(6)F5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one F(13), one F(14), one F(15), one F(2), one F(3), and one F(5) atom. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(6), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(11)LiMn3 tetrahedra, corners with three equivalent F(12)LiMn3 tetrahedra,  an edgeedge with one F(18)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the second F site, F(2) is bonded to one Li(6), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(13)LiMn3 tetrahedra, corners with three equivalent F(14)LiMn3 tetrahedra,  an edgeedge with one F(8)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra, corners with three equivalent F(15)LiMn3 tetrahedra, corners with three equivalent F(5)LiMn3 tetrahedra,  an edgeedge with one F(17)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the fourth F site, F(4) is bonded to one Li(1), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra, corners with three equivalent F(16)LiMn3 tetrahedra, corners with three equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. In the fifth F site, F(5) is bonded to one Li(2), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(15)LiMn3 tetrahedra, corners with three equivalent F(3)LiMn3 tetrahedra,  an edgeedge with one F(17)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the sixth F site, F(6) is bonded to one Li(2), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(16)LiMn3 tetrahedra, corners with three equivalent F(4)LiMn3 tetrahedra,  an edgeedge with one F(7)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. In the seventh F site, F(7) is bonded to one Li(1), one Li(2), one Li(5), and one Mn(2) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(17)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the eighth F site, F(8) is bonded to one Li(3), one Li(4), one Li(6), and one Mn(1) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(18)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Li(6) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Li(5) atom. In the eleventh F site, F(11) is bonded to one Li(4), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(1)LiMn3 tetrahedra, corners with three equivalent F(12)LiMn3 tetrahedra,  an edgeedge with one F(18)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the twelfth F site, F(12) is bonded to one Li(3), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(1)LiMn3 tetrahedra, corners with three equivalent F(11)LiMn3 tetrahedra,  an edgeedge with one F(18)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the thirteenth F site, F(13) is bonded to one Li(4), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(14)LiMn3 tetrahedra, corners with three equivalent F(2)LiMn3 tetrahedra,  an edgeedge with one F(8)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the fourteenth F site, F(14) is bonded to one Li(3), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(13)LiMn3 tetrahedra, corners with three equivalent F(2)LiMn3 tetrahedra,  an edgeedge with one F(8)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the fifteenth F site, F(15) is bonded to one Li(5), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra, corners with three equivalent F(3)LiMn3 tetrahedra, corners with three equivalent F(5)LiMn3 tetrahedra,  an edgeedge with one F(17)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the sixteenth F site, F(16) is bonded to one Li(5), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra, corners with three equivalent F(4)LiMn3 tetrahedra, corners with three equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. In the seventeenth F site, F(17) is bonded to one Li(1), one Li(2), one Li(5), and one Mn(4) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(7)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the eighteenth F site, F(18) is bonded to one Li(3), one Li(4), one Li(6), and one Mn(5) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(8)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   5.938
_cell_length_c   11.677
_cell_angle_alpha   89.971
_cell_angle_beta   90.089
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   356.562
_cell_formula_units_Z   6
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  0.330  0.001  0.747  1.0
  Li  Li1  1  0.004  0.325  0.746  1.0
  Li  Li2  1  0.334  0.329  0.245  1.0
  Li  Li3  1  0.678  0.000  0.246  1.0
  Li  Li4  1  0.679  0.675  0.746  1.0
  Li  Li5  1  0.008  0.673  0.245  1.0
  Mn  Mn6  1  0.339  0.668  0.028  1.0
  Mn  Mn7  1  0.340  0.668  0.529  1.0
  Mn  Mn8  1  0.007  0.001  0.494  1.0
  Mn  Mn9  1  0.672  0.335  0.963  1.0
  Mn  Mn10  1  0.674  0.334  0.462  1.0
  Mn  Mn11  1  0.005  0.001  1.000  1.0
  F  F12  1  0.051  0.691  0.418  1.0
  F  F13  1  0.963  0.645  0.073  1.0
  F  F14  1  0.314  0.958  0.920  1.0
  F  F15  1  0.360  0.044  0.572  1.0
  F  F16  1  0.048  0.353  0.919  1.0
  F  F17  1  0.965  0.312  0.572  1.0
  F  F18  1  0.339  0.668  0.712  1.0
  F  F19  1  0.340  0.667  0.211  1.0
  F  F20  1  0.007  0.000  0.242  1.0
  F  F21  1  0.004  1.000  0.745  1.0
  F  F22  1  0.653  0.958  0.418  1.0
  F  F23  1  0.318  0.355  0.418  1.0
  F  F24  1  0.693  0.044  0.073  1.0
  F  F25  1  0.362  0.314  0.073  1.0
  F  F26  1  0.654  0.693  0.919  1.0
  F  F27  1  0.696  0.647  0.572  1.0
  F  F28  1  0.670  0.333  0.780  1.0
  F  F29  1  0.674  0.334  0.279  1.0
[/CIF]
.
The compound described by LiMnF3 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(10), one F(17), one F(3), one F(4), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(5)F7 pentagonal bipyramid, corners with three equivalent Li(2)F5 trigonal bipyramids, corners with three equivalent Li(5)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, and  an edgeedge with one Mn(4)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the second Li site, Li(2) is bonded to one F(10), one F(17), one F(5), one F(6), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(5)F7 pentagonal bipyramid, corners with three equivalent Li(1)F5 trigonal bipyramids, corners with three equivalent Li(5)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, and  an edgeedge with one Mn(4)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the third Li site, Li(3) is bonded to one F(12), one F(14), one F(18), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(4)F7 pentagonal bipyramid, corners with three equivalent Li(4)F5 trigonal bipyramids, corners with three equivalent Li(6)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, and  an edgeedge with one Mn(5)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the fourth Li site, Li(4) is bonded to one F(11), one F(13), one F(18), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(4)F7 pentagonal bipyramid, corners with three equivalent Li(3)F5 trigonal bipyramids, corners with three equivalent Li(6)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, and  an edgeedge with one Mn(5)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the fifth Li site, Li(5) is bonded to one F(10), one F(15), one F(16), one F(17), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(5)F7 pentagonal bipyramid, corners with three equivalent Li(1)F5 trigonal bipyramids, corners with three equivalent Li(2)F5 trigonal bipyramids,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, and  an edgeedge with one Mn(4)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the sixth Li site, Li(6) is bonded to one F(1), one F(18), one F(2), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one Mn(3)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(4)F7 pentagonal bipyramid, corners with three equivalent Li(3)F5 trigonal bipyramids, corners with three equivalent Li(4)F5 trigonal bipyramids,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, and  an edgeedge with one Mn(5)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 67°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(13), one F(14), one F(15), one F(2), one F(3), one F(5), and one F(8) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(1)F5 trigonal bipyramid,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(5)F5 trigonal bipyramid, edges with three equivalent Mn(4)F7 pentagonal bipyramids,  an edgeedge with one Li(3)F5 trigonal bipyramid,  an edgeedge with one Li(4)F5 trigonal bipyramid, and  an edgeedge with one Li(6)F5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one F(1), one F(11), one F(12), one F(16), one F(4), one F(6), and one F(7) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(3)F5 trigonal bipyramid,  a cornercorner with one Li(4)F5 trigonal bipyramid,  a cornercorner with one Li(6)F5 trigonal bipyramid, edges with three equivalent Mn(3)F6 octahedra, edges with three equivalent Mn(5)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid,  an edgeedge with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(5)F5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one F(1), one F(11), one F(12), one F(16), one F(4), and one F(6) atom to form distorted MnF6 octahedra that share  a cornercorner with one Li(1)F5 trigonal bipyramid,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(3)F5 trigonal bipyramid,  a cornercorner with one Li(4)F5 trigonal bipyramid,  a cornercorner with one Li(5)F5 trigonal bipyramid,  a cornercorner with one Li(6)F5 trigonal bipyramid, edges with three equivalent Mn(2)F7 pentagonal bipyramids, and edges with three equivalent Mn(5)F7 pentagonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one F(13), one F(14), one F(15), one F(17), one F(2), one F(3), and one F(5) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(3)F5 trigonal bipyramid,  a cornercorner with one Li(4)F5 trigonal bipyramid,  a cornercorner with one Li(6)F5 trigonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids,  an edgeedge with one Li(1)F5 trigonal bipyramid,  an edgeedge with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(5)F5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one F(1), one F(11), one F(12), one F(16), one F(18), one F(4), and one F(6) atom to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Li(1)F5 trigonal bipyramid,  a cornercorner with one Li(2)F5 trigonal bipyramid,  a cornercorner with one Li(5)F5 trigonal bipyramid, edges with three equivalent Mn(3)F6 octahedra, edges with three equivalent Mn(2)F7 pentagonal bipyramids,  an edgeedge with one Li(3)F5 trigonal bipyramid,  an edgeedge with one Li(4)F5 trigonal bipyramid, and  an edgeedge with one Li(6)F5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one F(13), one F(14), one F(15), one F(2), one F(3), and one F(5) atom. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(6), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(11)LiMn3 tetrahedra, corners with three equivalent F(12)LiMn3 tetrahedra,  an edgeedge with one F(18)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the second F site, F(2) is bonded to one Li(6), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(13)LiMn3 tetrahedra, corners with three equivalent F(14)LiMn3 tetrahedra,  an edgeedge with one F(8)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra, corners with three equivalent F(15)LiMn3 tetrahedra, corners with three equivalent F(5)LiMn3 tetrahedra,  an edgeedge with one F(17)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the fourth F site, F(4) is bonded to one Li(1), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra, corners with three equivalent F(16)LiMn3 tetrahedra, corners with three equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. In the fifth F site, F(5) is bonded to one Li(2), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(15)LiMn3 tetrahedra, corners with three equivalent F(3)LiMn3 tetrahedra,  an edgeedge with one F(17)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the sixth F site, F(6) is bonded to one Li(2), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(16)LiMn3 tetrahedra, corners with three equivalent F(4)LiMn3 tetrahedra,  an edgeedge with one F(7)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. In the seventh F site, F(7) is bonded to one Li(1), one Li(2), one Li(5), and one Mn(2) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(17)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the eighth F site, F(8) is bonded to one Li(3), one Li(4), one Li(6), and one Mn(1) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(18)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one Li(6) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Li(5) atom. In the eleventh F site, F(11) is bonded to one Li(4), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(1)LiMn3 tetrahedra, corners with three equivalent F(12)LiMn3 tetrahedra,  an edgeedge with one F(18)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the twelfth F site, F(12) is bonded to one Li(3), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(1)LiMn3 tetrahedra, corners with three equivalent F(11)LiMn3 tetrahedra,  an edgeedge with one F(18)Li3Mn tetrahedra,  an edgeedge with one F(16)LiMn3 tetrahedra,  an edgeedge with one F(4)LiMn3 tetrahedra, and  an edgeedge with one F(6)LiMn3 tetrahedra. In the thirteenth F site, F(13) is bonded to one Li(4), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(14)LiMn3 tetrahedra, corners with three equivalent F(2)LiMn3 tetrahedra,  an edgeedge with one F(8)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the fourteenth F site, F(14) is bonded to one Li(3), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra,  a cornercorner with one F(3)LiMn3 tetrahedra,  a cornercorner with one F(5)LiMn3 tetrahedra, corners with three equivalent F(13)LiMn3 tetrahedra, corners with three equivalent F(2)LiMn3 tetrahedra,  an edgeedge with one F(8)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the fifteenth F site, F(15) is bonded to one Li(5), one Mn(1), one Mn(4), and one Mn(6) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(7)Li3Mn tetrahedra,  a cornercorner with one F(8)Li3Mn tetrahedra,  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra, corners with three equivalent F(3)LiMn3 tetrahedra, corners with three equivalent F(5)LiMn3 tetrahedra,  an edgeedge with one F(17)Li3Mn tetrahedra,  an edgeedge with one F(13)LiMn3 tetrahedra,  an edgeedge with one F(14)LiMn3 tetrahedra, and  an edgeedge with one F(2)LiMn3 tetrahedra. In the sixteenth F site, F(16) is bonded to one Li(5), one Mn(2), one Mn(3), and one Mn(5) atom to form FLiMn3 tetrahedra that share  a cornercorner with one F(17)Li3Mn tetrahedra,  a cornercorner with one F(18)Li3Mn tetrahedra,  a cornercorner with one F(1)LiMn3 tetrahedra,  a cornercorner with one F(11)LiMn3 tetrahedra,  a cornercorner with one F(12)LiMn3 tetrahedra,  a cornercorner with one F(15)LiMn3 tetrahedra, corners with three equivalent F(4)LiMn3 tetrahedra, corners with three equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. In the seventeenth F site, F(17) is bonded to one Li(1), one Li(2), one Li(5), and one Mn(4) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(7)Li3Mn tetrahedra,  an edgeedge with one F(15)LiMn3 tetrahedra,  an edgeedge with one F(3)LiMn3 tetrahedra, and  an edgeedge with one F(5)LiMn3 tetrahedra. In the eighteenth F site, F(18) is bonded to one Li(3), one Li(4), one Li(6), and one Mn(5) atom to form FLi3Mn tetrahedra that share  a cornercorner with one F(13)LiMn3 tetrahedra,  a cornercorner with one F(14)LiMn3 tetrahedra,  a cornercorner with one F(16)LiMn3 tetrahedra,  a cornercorner with one F(2)LiMn3 tetrahedra,  a cornercorner with one F(4)LiMn3 tetrahedra,  a cornercorner with one F(6)LiMn3 tetrahedra, corners with three equivalent F(8)Li3Mn tetrahedra,  an edgeedge with one F(1)LiMn3 tetrahedra,  an edgeedge with one F(11)LiMn3 tetrahedra, and  an edgeedge with one F(12)LiMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   5.938
_cell_length_c   11.677
_cell_angle_alpha   89.971
_cell_angle_beta   90.089
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   356.562
_cell_formula_units_Z   6
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  0.330  0.001  0.747  1.0
  Li  Li1  1  0.004  0.325  0.746  1.0
  Li  Li2  1  0.334  0.329  0.245  1.0
  Li  Li3  1  0.678  0.000  0.246  1.0
  Li  Li4  1  0.679  0.675  0.746  1.0
  Li  Li5  1  0.008  0.673  0.245  1.0
  Mn  Mn6  1  0.339  0.668  0.028  1.0
  Mn  Mn7  1  0.340  0.668  0.529  1.0
  Mn  Mn8  1  0.007  0.001  0.494  1.0
  Mn  Mn9  1  0.672  0.335  0.963  1.0
  Mn  Mn10  1  0.674  0.334  0.462  1.0
  Mn  Mn11  1  0.005  0.001  1.000  1.0
  F  F12  1  0.051  0.691  0.418  1.0
  F  F13  1  0.963  0.645  0.073  1.0
  F  F14  1  0.314  0.958  0.920  1.0
  F  F15  1  0.360  0.044  0.572  1.0
  F  F16  1  0.048  0.353  0.919  1.0
  F  F17  1  0.965  0.312  0.572  1.0
  F  F18  1  0.339  0.668  0.712  1.0
  F  F19  1  0.340  0.667  0.211  1.0
  F  F20  1  0.007  0.000  0.242  1.0
  F  F21  1  0.004  1.000  0.745  1.0
  F  F22  1  0.653  0.958  0.418  1.0
  F  F23  1  0.318  0.355  0.418  1.0
  F  F24  1  0.693  0.044  0.073  1.0
  F  F25  1  0.362  0.314  0.073  1.0
  F  F26  1  0.654  0.693  0.919  1.0
  F  F27  1  0.696  0.647  0.572  1.0
  F  F28  1  0.670  0.333  0.780  1.0
  F  F29  1  0.674  0.334  0.279  1.0
[/CIF]
.