The crystal structure described by Li7Mn(OF)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share corners with two equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(12)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra, and  an edgeedge with one Li(3)O2F2 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one F(2), and one F(4) atom to form LiO2F2 tetrahedra that share corners with two equivalent Li(5)O3F2 square pyramids,  a cornercorner with one Li(12)O2F2 tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(11)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(4)O2F2 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one F(1), and one F(5) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Li(6)O3F2 square pyramid, corners with two equivalent Li(5)O3F2 square pyramids,  a cornercorner with one Li(14)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O2F2 tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one F(2), and one F(6) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Li(5)O3F2 square pyramid, corners with two equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(13)O2F2 tetrahedra, corners with two equivalent Li(14)O2F2 tetrahedra,  an edgeedge with one Li(12)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(5), one F(2), and one F(3) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one Li(12)O2F2 tetrahedra,  a cornercorner with one Li(13)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the sixth Li site, Li(6) is bonded to one O(2), one O(4), one O(6), one F(1), and one F(4) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(14)O2F2 tetrahedra,  a cornercorner with one Li(3)O2F2 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Li(12)O2F2 tetrahedra,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. In the seventh Li site, Li(7) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(6), and one F(5) atom. In the eighth Li site, Li(8) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one F(6) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(3), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Li(5)O3F2 square pyramids,  a cornercorner with one Li(12)O2F2 tetrahedra,  a cornercorner with one Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(11)O2F2 tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(3)O2F2 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(2), one O(4), one O(6), and one F(4) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(11)O2F2 tetrahedra, corners with two equivalent Li(12)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra, and  an edgeedge with one Li(4)O2F2 tetrahedra. In the eleventh Li site, Li(11) is bonded to one O(1), one O(5), one F(4), and one F(5) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(3)O2F2 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(2), one O(6), one F(3), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra, and  an edgeedge with one Li(4)O2F2 tetrahedra. In the thirteenth Li site, Li(13) is bonded to one O(3), one O(5), one F(2), and one F(5) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the fourteenth Li site, Li(14) is bonded to one O(4), one O(6), one F(1), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(12)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one F(2), one F(4), and one F(5) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(11), one Li(3), one Li(5), one Li(7), one Li(9), and one Mn(1) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(4)Li5Mn octahedra, edges with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one O(6)Li6Mn pentagonal bipyramid, and edges with two equivalent O(5)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 23°. In the second O site, O(2) is bonded to one Li(10), one Li(12), one Li(2), one Li(4), one Li(6), one Li(8), and one Mn(2) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(3)Li5Mn octahedra, edges with two equivalent O(4)Li5Mn octahedra,  an edgeedge with one O(5)Li6Mn pentagonal bipyramid, and edges with two equivalent O(6)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 23°. In the third O site, O(3) is bonded to one Li(13), one Li(3), one Li(5), one Li(7), one Li(9), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLi5Mn octahedra. In the fourth O site, O(4) is bonded to one Li(10), one Li(14), one Li(4), one Li(6), one Li(8), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OLi5Mn octahedra. In the fifth O site, O(5) is bonded to one Li(11), one Li(13), one Li(2), one Li(5), one Li(8), one Li(9), and one Mn(1) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(3)Li5Mn octahedra,  an edgeedge with one O(3)Li5Mn octahedra,  an edgeedge with one O(4)Li5Mn octahedra,  an edgeedge with one O(2)Li6Mn pentagonal bipyramid, and edges with two equivalent O(1)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 17°. In the sixth O site, O(6) is bonded to one Li(1), one Li(10), one Li(12), one Li(14), one Li(6), one Li(7), and one Mn(2) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(4)Li5Mn octahedra,  an edgeedge with one O(3)Li5Mn octahedra,  an edgeedge with one O(4)Li5Mn octahedra,  an edgeedge with one O(1)Li6Mn pentagonal bipyramid, and edges with two equivalent O(2)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 17°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(14), one Li(3), one Li(6), and one Mn(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(13), one Li(2), one Li(4), one Li(5), and one Mn(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(5), one Li(9), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(11), one Li(2), one Li(6), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a 5-coordinate geometry to one Li(11), one Li(13), one Li(3), one Li(7), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a 5-coordinate geometry to one Li(12), one Li(14), one Li(4), one Li(8), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li7Mn(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   5.590
_cell_length_c   5.881
_cell_angle_alpha   63.932
_cell_angle_beta   67.903
_cell_angle_gamma   63.295
_symmetry_Int_Tables_number   1
_cell_volume   139.311
_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  0.414  0.773  0.738  1.0
  F  F1  1  0.891  0.593  0.254  1.0
  F  F2  1  0.160  0.397  0.728  1.0
  Li  Li3  1  0.542  0.860  0.370  1.0
  Li  Li4  1  0.106  0.778  0.647  1.0
  Li  Li5  1  0.611  0.697  0.012  1.0
  Li  Li6  1  0.412  0.249  0.990  1.0
  Li  Li7  1  0.884  0.225  0.390  1.0
  Li  Li8  1  0.222  0.541  0.337  1.0
  Li  Li9  1  0.490  0.115  0.617  1.0
  Mn  Mn10  1  0.954  0.064  0.001  1.0
  O  O11  1  0.231  0.921  0.243  1.0
  O  O12  1  0.768  0.039  0.772  1.0
  O  O13  1  0.579  0.257  0.241  1.0
[/CIF]
.
The crystal structure described by Li7Mn(OF)3 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share corners with two equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(12)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra, and  an edgeedge with one Li(3)O2F2 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one F(2), and one F(4) atom to form LiO2F2 tetrahedra that share corners with two equivalent Li(5)O3F2 square pyramids,  a cornercorner with one Li(12)O2F2 tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(11)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(4)O2F2 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one F(1), and one F(5) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Li(6)O3F2 square pyramid, corners with two equivalent Li(5)O3F2 square pyramids,  a cornercorner with one Li(14)O2F2 tetrahedra, corners with two equivalent Li(13)O2F2 tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O2F2 tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one F(2), and one F(6) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one Li(5)O3F2 square pyramid, corners with two equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(13)O2F2 tetrahedra, corners with two equivalent Li(14)O2F2 tetrahedra,  an edgeedge with one Li(12)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(5), one F(2), and one F(3) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one Li(12)O2F2 tetrahedra,  a cornercorner with one Li(13)O2F2 tetrahedra,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the sixth Li site, Li(6) is bonded to one O(2), one O(4), one O(6), one F(1), and one F(4) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(14)O2F2 tetrahedra,  a cornercorner with one Li(3)O2F2 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Li(12)O2F2 tetrahedra,  an edgeedge with one Li(14)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. In the seventh Li site, Li(7) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(6), and one F(5) atom. In the eighth Li site, Li(8) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one F(6) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(3), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Li(5)O3F2 square pyramids,  a cornercorner with one Li(12)O2F2 tetrahedra,  a cornercorner with one Li(2)O2F2 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(11)O2F2 tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(3)O2F2 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(2), one O(4), one O(6), and one F(4) atom to form distorted LiO3F tetrahedra that share corners with two equivalent Li(6)O3F2 square pyramids,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(11)O2F2 tetrahedra, corners with two equivalent Li(12)O2F2 tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra, and  an edgeedge with one Li(4)O2F2 tetrahedra. In the eleventh Li site, Li(11) is bonded to one O(1), one O(5), one F(4), and one F(5) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(2)O2F2 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(13)O2F2 tetrahedra, and  an edgeedge with one Li(3)O2F2 tetrahedra. In the twelfth Li site, Li(12) is bonded to one O(2), one O(6), one F(3), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(2)O2F2 tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(14)O2F2 tetrahedra, and  an edgeedge with one Li(4)O2F2 tetrahedra. In the thirteenth Li site, Li(13) is bonded to one O(3), one O(5), one F(2), and one F(5) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(4)O2F2 tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(2)O2F2 tetrahedra, and  an edgeedge with one Li(9)O3F tetrahedra. In the fourteenth Li site, Li(14) is bonded to one O(4), one O(6), one F(1), and one F(6) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(6)O3F2 square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra, corners with two equivalent Li(4)O2F2 tetrahedra,  an edgeedge with one Li(6)O3F2 square pyramid,  an edgeedge with one Li(1)O2F2 tetrahedra,  an edgeedge with one Li(12)O2F2 tetrahedra, and  an edgeedge with one Li(10)O3F tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one F(2), one F(4), and one F(5) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(11), one Li(3), one Li(5), one Li(7), one Li(9), and one Mn(1) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(4)Li5Mn octahedra, edges with two equivalent O(3)Li5Mn octahedra,  an edgeedge with one O(6)Li6Mn pentagonal bipyramid, and edges with two equivalent O(5)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 23°. In the second O site, O(2) is bonded to one Li(10), one Li(12), one Li(2), one Li(4), one Li(6), one Li(8), and one Mn(2) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(3)Li5Mn octahedra, edges with two equivalent O(4)Li5Mn octahedra,  an edgeedge with one O(5)Li6Mn pentagonal bipyramid, and edges with two equivalent O(6)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 23°. In the third O site, O(3) is bonded to one Li(13), one Li(3), one Li(5), one Li(7), one Li(9), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OLi5Mn octahedra. In the fourth O site, O(4) is bonded to one Li(10), one Li(14), one Li(4), one Li(6), one Li(8), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OLi5Mn octahedra. In the fifth O site, O(5) is bonded to one Li(11), one Li(13), one Li(2), one Li(5), one Li(8), one Li(9), and one Mn(1) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(3)Li5Mn octahedra,  an edgeedge with one O(3)Li5Mn octahedra,  an edgeedge with one O(4)Li5Mn octahedra,  an edgeedge with one O(2)Li6Mn pentagonal bipyramid, and edges with two equivalent O(1)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 17°. In the sixth O site, O(6) is bonded to one Li(1), one Li(10), one Li(12), one Li(14), one Li(6), one Li(7), and one Mn(2) atom to form distorted OLi6Mn pentagonal bipyramids that share  a cornercorner with one O(4)Li5Mn octahedra,  an edgeedge with one O(3)Li5Mn octahedra,  an edgeedge with one O(4)Li5Mn octahedra,  an edgeedge with one O(1)Li6Mn pentagonal bipyramid, and edges with two equivalent O(2)Li6Mn pentagonal bipyramids. The corner-sharing octahedral tilt angles are 17°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(14), one Li(3), one Li(6), and one Mn(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(13), one Li(2), one Li(4), one Li(5), and one Mn(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(5), one Li(9), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(11), one Li(2), one Li(6), and one Mn(1) atom. In the fifth F site, F(5) is bonded in a 5-coordinate geometry to one Li(11), one Li(13), one Li(3), one Li(7), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a 5-coordinate geometry to one Li(12), one Li(14), one Li(4), one Li(8), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li7Mn(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   5.590
_cell_length_c   5.881
_cell_angle_alpha   63.932
_cell_angle_beta   67.903
_cell_angle_gamma   63.295
_symmetry_Int_Tables_number   1
_cell_volume   139.311
_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  0.414  0.773  0.738  1.0
  F  F1  1  0.891  0.593  0.254  1.0
  F  F2  1  0.160  0.397  0.728  1.0
  Li  Li3  1  0.542  0.860  0.370  1.0
  Li  Li4  1  0.106  0.778  0.647  1.0
  Li  Li5  1  0.611  0.697  0.012  1.0
  Li  Li6  1  0.412  0.249  0.990  1.0
  Li  Li7  1  0.884  0.225  0.390  1.0
  Li  Li8  1  0.222  0.541  0.337  1.0
  Li  Li9  1  0.490  0.115  0.617  1.0
  Mn  Mn10  1  0.954  0.064  0.001  1.0
  O  O11  1  0.231  0.921  0.243  1.0
  O  O12  1  0.768  0.039  0.772  1.0
  O  O13  1  0.579  0.257  0.241  1.0
[/CIF]
.