The compound described by Li6Mn2O5F2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(9), one F(1), and one F(3) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(9)O3F2 square pyramids, corners with three equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(8), one F(1), and one F(3) atom to form distorted LiO3F2 trigonal bipyramids that share corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The corner-sharing octahedral tilt angles range from 6-15°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(5), one F(2), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(11)O3F2 square pyramids, corners with three equivalent Li(5)O4F square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(5), one O(6), and one O(7) atom to form LiO5 square pyramids that share corners with three equivalent Mn(1)O5F octahedra,  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(6)O3F2 square pyramid, corners with two equivalent Li(12)O5 square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(4) atom to form LiO4F square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(7)O5 square pyramids, corners with three equivalent Li(3)O3F2 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(1)O5F octahedra,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(2), one O(7), one O(9), one F(1), and one F(2) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with three equivalent Li(1)O3F2 square pyramids, corners with two equivalent Li(8)O3F2 trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(5)O4F square pyramids, corners with three equivalent Li(12)O5 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(1), one O(6), one O(7), one F(2), and one F(4) atom to form distorted LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(6)O3F2 square pyramids,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. In the ninth Li site, Li(9) is bonded to one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent Mn(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(1)O3F2 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(1)O5F octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one F(3), and one F(4) atom. In the eleventh Li site, Li(11) is bonded to one O(10), one O(8), one O(9), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(3)O3F2 square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-17°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(6)O3F2 square pyramid, corners with two equivalent Li(4)O5 square pyramids, corners with three equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one F(3) atom to form MnO5F octahedra that share corners with three equivalent Mn(3)O4F2 octahedra, corners with three equivalent Li(4)O5 square pyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(9)O3F2 square pyramids, edges with two equivalent Li(5)O4F square pyramids,  an edgeedge with one Li(2)O3F2 trigonal bipyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-20°. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(7), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(4)O4F2 octahedra, corners with three equivalent Li(2)O3F2 trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(11)O3F2 square pyramids, edges with two equivalent Li(6)O3F2 square pyramids, edges with two equivalent Li(12)O5 square pyramids, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(8), one O(9), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(1)O5F octahedra, corners with three equivalent Li(11)O3F2 square pyramids,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(1)O3F2 square pyramids, edges with two equivalent Li(7)O5 square pyramids, and edges with two equivalent Li(2)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-20°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(5), one O(6), one O(7), one F(2), and one F(4) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Li(9)O3F2 square pyramids,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(3)O3F2 square pyramids, edges with two equivalent Li(4)O5 square pyramids, and edges with two equivalent Li(8)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-6°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(4), one Li(5), one Li(8), and one Mn(1) atom to form OLi5Mn octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with two equivalent F(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the second O site, O(2) is bonded to one Li(1), one Li(12), one Li(2), one Li(6), one Li(7), and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(7)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the third O site, O(3) is bonded to one Li(10), one Li(2), one Li(5), one Li(7), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(8)Li4Mn2 octahedra, corners with three equivalent O(1)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, and edges with two equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one Li(7), one Li(9), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(9)Li5Mn octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(8)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, and edges with two equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one Li(9), one Mn(1), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(10)Li4Mn2 octahedra, corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, and edges with two equivalent F(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the sixth O site, O(6) is bonded to one Li(10), one Li(4), one Li(8), one Li(9), one Mn(1), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(7)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, and edges with two equivalent F(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the seventh O site, O(7) is bonded to one Li(12), one Li(4), one Li(6), one Li(8), one Mn(2), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(6)Li4Mn2 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(8)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the eighth O site, O(8) is bonded to one Li(11), one Li(12), one Li(2), one Li(7), one Mn(2), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(10)Li4Mn2 octahedra, corners with three equivalent O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent O(9)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(12), one Li(6), one Li(7), and one Mn(3) atom to form OLi5Mn octahedra that share corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. In the tenth O site, O(10) is bonded to one Li(11), one Li(12), one Li(3), one Li(4), one Mn(2), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(8)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, edges with two equivalent O(7)Li4Mn2 octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), one Li(2), one Li(6), one Mn(2), and one Mn(3) atom to form distorted FLi4Mn2 octahedra that share corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(9)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the second F site, F(2) is bonded to one Li(11), one Li(3), one Li(6), one Li(8), one Mn(2), and one Mn(4) atom to form FLi4Mn2 octahedra that share corners with three equivalent F(1)Li4Mn2 octahedra, corners with three equivalent F(4)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(8)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, and edges with two equivalent O(7)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(9), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded to one Li(10), one Li(3), one Li(5), one Li(8), one Li(9), and one Mn(4) atom to form FLi5Mn octahedra that share corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with two equivalent O(1)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-21°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.840
_cell_length_c   9.856
_cell_angle_alpha   92.724
_cell_angle_beta   97.589
_cell_angle_gamma   117.965
_symmetry_Int_Tables_number   1
_cell_volume   291.495
_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  0.130  0.471  0.610  1.0
  Li  Li1  1  0.121  0.901  0.599  1.0
  Li  Li2  1  0.145  0.679  0.107  1.0
  Li  Li3  1  0.149  0.227  0.103  1.0
  Li  Li4  1  0.408  0.336  0.880  1.0
  Li  Li5  1  0.409  0.067  0.393  1.0
  Li  Li6  1  0.577  0.912  0.612  1.0
  Li  Li7  1  0.587  0.670  0.107  1.0
  Li  Li8  1  0.889  0.824  0.900  1.0
  Li  Li9  1  0.870  0.319  0.892  1.0
  Li  Li10  1  0.843  0.059  0.404  1.0
  Li  Li11  1  0.853  0.516  0.391  1.0
  Mn  Mn12  1  0.401  0.824  0.874  1.0
  Mn  Mn13  1  0.352  0.538  0.368  1.0
  Mn  Mn14  1  0.616  0.425  0.635  1.0
  Mn  Mn15  1  0.646  0.200  0.132  1.0
  O  O16  1  0.253  0.519  0.971  1.0
  O  O17  1  0.236  0.729  0.475  1.0
  O  O18  1  0.511  0.140  0.755  1.0
  O  O19  1  0.496  0.629  0.745  1.0
  O  O20  1  0.301  0.018  0.007  1.0
  O  O21  1  0.770  0.026  0.011  1.0
  O  O22  1  0.492  0.362  0.248  1.0
  O  O23  1  0.690  0.689  0.499  1.0
  O  O24  1  0.747  0.250  0.527  1.0
  O  O25  1  1.000  0.369  0.247  1.0
  F  F26  1  0.197  0.194  0.499  1.0
  F  F27  1  0.518  0.871  0.252  1.0
  F  F28  1  0.009  0.689  0.748  1.0
  F  F29  1  0.781  0.544  0.010  1.0
[/CIF]
.
The compound described by Li6Mn2O5F2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(9), one F(1), and one F(3) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(9)O3F2 square pyramids, corners with three equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(8), one F(1), and one F(3) atom to form distorted LiO3F2 trigonal bipyramids that share corners with three equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The corner-sharing octahedral tilt angles range from 6-15°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(5), one F(2), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(11)O3F2 square pyramids, corners with three equivalent Li(5)O4F square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(5), one O(6), and one O(7) atom to form LiO5 square pyramids that share corners with three equivalent Mn(1)O5F octahedra,  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(6)O3F2 square pyramid, corners with two equivalent Li(12)O5 square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra, edges with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(4) atom to form LiO4F square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(7)O5 square pyramids, corners with three equivalent Li(3)O3F2 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(1)O5F octahedra,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(2), one O(7), one O(9), one F(1), and one F(2) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with three equivalent Li(1)O3F2 square pyramids, corners with two equivalent Li(8)O3F2 trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(5)O4F square pyramids, corners with three equivalent Li(12)O5 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(1), one O(6), one O(7), one F(2), and one F(4) atom to form distorted LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(6)O3F2 square pyramids,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, edges with two equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. In the ninth Li site, Li(9) is bonded to one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent Mn(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(1)O3F2 square pyramids,  a cornercorner with one Li(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O4F2 octahedra, edges with two equivalent Mn(1)O5F octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one F(3), and one F(4) atom. In the eleventh Li site, Li(11) is bonded to one O(10), one O(8), one O(9), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent Mn(3)O4F2 octahedra,  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(3)O3F2 square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-17°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(6)O3F2 square pyramid, corners with two equivalent Li(4)O5 square pyramids, corners with three equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(8)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid, and  an edgeedge with one Li(2)O3F2 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one F(3) atom to form MnO5F octahedra that share corners with three equivalent Mn(3)O4F2 octahedra, corners with three equivalent Li(4)O5 square pyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(9)O3F2 square pyramids, edges with two equivalent Li(5)O4F square pyramids,  an edgeedge with one Li(2)O3F2 trigonal bipyramid, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-20°. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(7), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(4)O4F2 octahedra, corners with three equivalent Li(2)O3F2 trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(11)O3F2 square pyramids, edges with two equivalent Li(6)O3F2 square pyramids, edges with two equivalent Li(12)O5 square pyramids, and  an edgeedge with one Li(8)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(8), one O(9), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(1)O5F octahedra, corners with three equivalent Li(11)O3F2 square pyramids,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(1)O3F2 square pyramids, edges with two equivalent Li(7)O5 square pyramids, and edges with two equivalent Li(2)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-20°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(5), one O(6), one O(7), one F(2), and one F(4) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Li(9)O3F2 square pyramids,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(3)O3F2 square pyramids, edges with two equivalent Li(4)O5 square pyramids, and edges with two equivalent Li(8)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-6°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(4), one Li(5), one Li(8), and one Mn(1) atom to form OLi5Mn octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with two equivalent F(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the second O site, O(2) is bonded to one Li(1), one Li(12), one Li(2), one Li(6), one Li(7), and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(7)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(9)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. In the third O site, O(3) is bonded to one Li(10), one Li(2), one Li(5), one Li(7), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(8)Li4Mn2 octahedra, corners with three equivalent O(1)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, and edges with two equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one Li(7), one Li(9), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(9)Li5Mn octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(8)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, and edges with two equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one Li(9), one Mn(1), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(10)Li4Mn2 octahedra, corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, and edges with two equivalent F(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the sixth O site, O(6) is bonded to one Li(10), one Li(4), one Li(8), one Li(9), one Mn(1), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(7)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(1)Li5Mn octahedra, and edges with two equivalent F(4)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the seventh O site, O(7) is bonded to one Li(12), one Li(4), one Li(6), one Li(8), one Mn(2), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(6)Li4Mn2 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(8)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the eighth O site, O(8) is bonded to one Li(11), one Li(12), one Li(2), one Li(7), one Mn(2), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(10)Li4Mn2 octahedra, corners with three equivalent O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, edges with two equivalent O(9)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(12), one Li(6), one Li(7), and one Mn(3) atom to form OLi5Mn octahedra that share corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra,  an edgeedge with one F(2)Li4Mn2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent F(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. In the tenth O site, O(10) is bonded to one Li(11), one Li(12), one Li(3), one Li(4), one Mn(2), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li4Mn2 octahedra, corners with three equivalent O(8)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra,  an edgeedge with one F(1)Li4Mn2 octahedra,  an edgeedge with one F(4)Li5Mn octahedra, edges with two equivalent O(7)Li4Mn2 octahedra, and edges with two equivalent F(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), one Li(2), one Li(6), one Mn(2), and one Mn(3) atom to form distorted FLi4Mn2 octahedra that share corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra, edges with two equivalent O(8)Li4Mn2 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with two equivalent O(9)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the second F site, F(2) is bonded to one Li(11), one Li(3), one Li(6), one Li(8), one Mn(2), and one Mn(4) atom to form FLi4Mn2 octahedra that share corners with three equivalent F(1)Li4Mn2 octahedra, corners with three equivalent F(4)Li5Mn octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(8)Li4Mn2 octahedra,  an edgeedge with one O(1)Li5Mn octahedra,  an edgeedge with one O(2)Li5Mn octahedra,  an edgeedge with one O(9)Li5Mn octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, and edges with two equivalent O(7)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(9), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded to one Li(10), one Li(3), one Li(5), one Li(8), one Li(9), and one Mn(4) atom to form FLi5Mn octahedra that share corners with three equivalent F(2)Li4Mn2 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(7)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with two equivalent O(1)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 1-21°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn2O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   5.840
_cell_length_c   9.856
_cell_angle_alpha   92.724
_cell_angle_beta   97.589
_cell_angle_gamma   117.965
_symmetry_Int_Tables_number   1
_cell_volume   291.495
_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  0.130  0.471  0.610  1.0
  Li  Li1  1  0.121  0.901  0.599  1.0
  Li  Li2  1  0.145  0.679  0.107  1.0
  Li  Li3  1  0.149  0.227  0.103  1.0
  Li  Li4  1  0.408  0.336  0.880  1.0
  Li  Li5  1  0.409  0.067  0.393  1.0
  Li  Li6  1  0.577  0.912  0.612  1.0
  Li  Li7  1  0.587  0.670  0.107  1.0
  Li  Li8  1  0.889  0.824  0.900  1.0
  Li  Li9  1  0.870  0.319  0.892  1.0
  Li  Li10  1  0.843  0.059  0.404  1.0
  Li  Li11  1  0.853  0.516  0.391  1.0
  Mn  Mn12  1  0.401  0.824  0.874  1.0
  Mn  Mn13  1  0.352  0.538  0.368  1.0
  Mn  Mn14  1  0.616  0.425  0.635  1.0
  Mn  Mn15  1  0.646  0.200  0.132  1.0
  O  O16  1  0.253  0.519  0.971  1.0
  O  O17  1  0.236  0.729  0.475  1.0
  O  O18  1  0.511  0.140  0.755  1.0
  O  O19  1  0.496  0.629  0.745  1.0
  O  O20  1  0.301  0.018  0.007  1.0
  O  O21  1  0.770  0.026  0.011  1.0
  O  O22  1  0.492  0.362  0.248  1.0
  O  O23  1  0.690  0.689  0.499  1.0
  O  O24  1  0.747  0.250  0.527  1.0
  O  O25  1  1.000  0.369  0.247  1.0
  F  F26  1  0.197  0.194  0.499  1.0
  F  F27  1  0.518  0.871  0.252  1.0
  F  F28  1  0.009  0.689  0.748  1.0
  F  F29  1  0.781  0.544  0.010  1.0
[/CIF]
.