The structure described by Li4Mn3O5F3 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), two equivalent O(4), one F(2), and two equivalent F(3) atoms to form LiO3F3 octahedra that share  a cornercorner with one Mn(2)O5F octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), one F(1), and one F(3) atom. In the third Li site, Li(3) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent F(1) atoms to form distorted LiO4F2 octahedra that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent F(2) atoms to form distorted LiO4F2 octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(1)O3F3 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(3), one F(1), and two equivalent F(3) atoms to form distorted MnO3F3 octahedra that share  a cornercorner with one Li(3)O4F2 octahedra, corners with two equivalent Li(1)O3F3 octahedra, corners with two equivalent Li(4)O4F2 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and one F(2) atom to form distorted MnO5F octahedra that share  a cornercorner with one Li(1)O3F3 octahedra,  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra, edges with two equivalent Li(1)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(1)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and two equivalent Mn(2) atoms to form OLi3Mn2 square pyramids that share corners with two equivalent O(2)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent F(3)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 10-14°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(3), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent F(1)Li3Mn trigonal pyramids, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn2 square pyramid, and  an edgeedge with one F(1)Li3Mn trigonal pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(4), one Mn(3), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent F(3)Li3Mn2 square pyramids, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one F(3)Li3Mn2 square pyramid, and edges with two equivalent F(1)Li3Mn trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), one Mn(2), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent F(3)Li3Mn2 square pyramids,  an edgeedge with one O(5)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one F(3)Li3Mn2 square pyramid, and edges with two equivalent O(1)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Mn(1), and two equivalent Mn(3) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn2 square pyramids,  a cornercorner with one F(1)Li3Mn trigonal pyramid,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn2 square pyramid, edges with two equivalent F(3)Li3Mn2 square pyramids, and edges with two equivalent F(1)Li3Mn trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(3), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent O(2)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with three equivalent F(3)Li3Mn2 square pyramids, corners with two equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, and edges with two equivalent O(5)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(4), and one Mn(2) atom. In the third F site, F(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Mn(1) atoms to form FLi3Mn2 square pyramids that share corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with three equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent F(3)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 9-15°. is represented by the CIF file [CIF]
data_Li4Mn3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.933
_cell_length_b   6.734
_cell_length_c   8.017
_cell_angle_alpha   87.492
_cell_angle_beta   79.459
_cell_angle_gamma   77.420
_symmetry_Int_Tables_number   1
_cell_volume   151.921
_cell_formula_units_Z   1
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
  F  F0  1  0.909  0.786  0.396  1.0
  F  F1  1  0.599  0.960  0.843  1.0
  F  F2  1  0.108  0.211  0.573  1.0
  Li  Li3  1  0.503  0.237  0.756  1.0
  Li  Li4  1  0.971  0.538  0.520  1.0
  Li  Li5  1  0.513  0.734  0.239  1.0
  Li  Li6  1  0.995  0.008  0.003  1.0
  Mn  Mn7  1  0.753  0.107  0.387  1.0
  Mn  Mn8  1  0.755  0.632  0.857  1.0
  Mn  Mn9  1  0.256  0.365  0.123  1.0
  O  O10  1  0.366  0.562  0.705  1.0
  O  O11  1  0.155  0.656  0.035  1.0
  O  O12  1  0.360  0.088  0.193  1.0
  O  O13  1  0.860  0.314  0.966  1.0
  O  O14  1  0.647  0.428  0.279  1.0
[/CIF]
.
The structure described by Li4Mn3O5F3 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), two equivalent O(4), one F(2), and two equivalent F(3) atoms to form LiO3F3 octahedra that share  a cornercorner with one Mn(2)O5F octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), one F(1), and one F(3) atom. In the third Li site, Li(3) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent F(1) atoms to form distorted LiO4F2 octahedra that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent F(2) atoms to form distorted LiO4F2 octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Li(1)O3F3 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(3), one F(1), and two equivalent F(3) atoms to form distorted MnO3F3 octahedra that share  a cornercorner with one Li(3)O4F2 octahedra, corners with two equivalent Li(1)O3F3 octahedra, corners with two equivalent Li(4)O4F2 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and one F(2) atom to form distorted MnO5F octahedra that share  a cornercorner with one Li(1)O3F3 octahedra,  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(3)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra, edges with two equivalent Li(1)O3F3 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(1)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and two equivalent Mn(2) atoms to form OLi3Mn2 square pyramids that share corners with two equivalent O(2)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent F(3)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 10-14°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(3), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent F(1)Li3Mn trigonal pyramids, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn2 square pyramid, and  an edgeedge with one F(1)Li3Mn trigonal pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(4), one Mn(3), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent F(3)Li3Mn2 square pyramids, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one F(3)Li3Mn2 square pyramid, and edges with two equivalent F(1)Li3Mn trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), one Mn(2), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent F(3)Li3Mn2 square pyramids,  an edgeedge with one O(5)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one F(3)Li3Mn2 square pyramid, and edges with two equivalent O(1)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Mn(1), and two equivalent Mn(3) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn2 square pyramids,  a cornercorner with one F(1)Li3Mn trigonal pyramid,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn2 square pyramid, edges with two equivalent F(3)Li3Mn2 square pyramids, and edges with two equivalent F(1)Li3Mn trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(3), and one Mn(1) atom to form distorted FLi3Mn trigonal pyramids that share  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent O(2)Li3Mn3 octahedra, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with three equivalent F(3)Li3Mn2 square pyramids, corners with two equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, and edges with two equivalent O(5)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(4), and one Mn(2) atom. In the third F site, F(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Mn(1) atoms to form FLi3Mn2 square pyramids that share corners with two equivalent O(3)Li3Mn3 octahedra, corners with two equivalent O(4)Li3Mn3 octahedra, corners with three equivalent F(1)Li3Mn trigonal pyramids,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent F(3)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 9-15°. is represented by the CIF file [CIF]
data_Li4Mn3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.933
_cell_length_b   6.734
_cell_length_c   8.017
_cell_angle_alpha   87.492
_cell_angle_beta   79.459
_cell_angle_gamma   77.420
_symmetry_Int_Tables_number   1
_cell_volume   151.921
_cell_formula_units_Z   1
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
  F  F0  1  0.909  0.786  0.396  1.0
  F  F1  1  0.599  0.960  0.843  1.0
  F  F2  1  0.108  0.211  0.573  1.0
  Li  Li3  1  0.503  0.237  0.756  1.0
  Li  Li4  1  0.971  0.538  0.520  1.0
  Li  Li5  1  0.513  0.734  0.239  1.0
  Li  Li6  1  0.995  0.008  0.003  1.0
  Mn  Mn7  1  0.753  0.107  0.387  1.0
  Mn  Mn8  1  0.755  0.632  0.857  1.0
  Mn  Mn9  1  0.256  0.365  0.123  1.0
  O  O10  1  0.366  0.562  0.705  1.0
  O  O11  1  0.155  0.656  0.035  1.0
  O  O12  1  0.360  0.088  0.193  1.0
  O  O13  1  0.860  0.314  0.966  1.0
  O  O14  1  0.647  0.428  0.279  1.0
[/CIF]
.