The crystal structure described by LiMn2OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(10), one F(4), one F(5), and one F(7) atom to form LiOF5 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(2)OF5 octahedra, corners with four equivalent Mn(4)F6 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Li site, Li(2) is bonded to one O(2), one F(2), one F(3), one F(6), one F(8), and one F(9) atom to form distorted LiOF5 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(10), one F(3), one F(4), one F(7), and one F(8) atom to form MnOF5 octahedra that share corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Mn(4)F6 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second Mn site, Mn(2) is bonded to one O(2), one F(1), one F(2), one F(5), one F(6), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Li(2)OF5 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one F(3), one F(7), one F(8), and one F(9) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with two equivalent Mn(2)OF5 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(10), one F(2), one F(4), one F(5), and one F(6) atom to form MnF6 octahedra that share corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Mn(1)OF5 octahedra, corners with four equivalent Li(1)OF5 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(3) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.732
_cell_length_b   17.293
_cell_length_c   5.120
_cell_angle_alpha   88.547
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.857
_cell_formula_units_Z   4
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  0.010  0.382  0.251  1.0
  Li  Li1  1  0.989  0.611  0.746  1.0
  Li  Li2  1  0.490  0.882  0.251  1.0
  Li  Li3  1  0.511  0.111  0.746  1.0
  Mn  Mn4  1  0.010  0.282  0.764  1.0
  Mn  Mn5  1  0.018  0.055  0.249  1.0
  Mn  Mn6  1  0.044  0.710  0.225  1.0
  Mn  Mn7  1  0.999  0.946  0.757  1.0
  Mn  Mn8  1  0.456  0.210  0.225  1.0
  Mn  Mn9  1  0.482  0.555  0.249  1.0
  Mn  Mn10  1  0.490  0.782  0.764  1.0
  Mn  Mn11  1  0.501  0.446  0.757  1.0
  O  O12  1  0.262  0.785  0.068  1.0
  O  O13  1  0.244  0.628  0.084  1.0
  O  O14  1  0.256  0.128  0.084  1.0
  O  O15  1  0.238  0.285  0.068  1.0
  F  F16  1  0.237  0.959  0.084  1.0
  F  F17  1  0.232  0.045  0.569  1.0
  F  F18  1  0.263  0.209  0.562  1.0
  F  F19  1  0.227  0.371  0.583  1.0
  F  F20  1  0.273  0.871  0.583  1.0
  F  F21  1  0.237  0.709  0.562  1.0
  F  F22  1  0.263  0.459  0.084  1.0
  F  F23  1  0.268  0.545  0.569  1.0
  F  F24  1  0.711  0.473  0.409  1.0
  F  F25  1  0.711  0.543  0.931  1.0
  F  F26  1  0.771  0.291  0.452  1.0
  F  F27  1  0.786  0.707  0.936  1.0
  F  F28  1  0.713  0.136  0.406  1.0
  F  F29  1  0.714  0.868  0.922  1.0
  F  F30  1  0.786  0.368  0.922  1.0
  F  F31  1  0.787  0.636  0.406  1.0
  F  F32  1  0.729  0.791  0.452  1.0
  F  F33  1  0.714  0.207  0.936  1.0
  F  F34  1  0.789  0.043  0.931  1.0
  F  F35  1  0.789  0.973  0.409  1.0
[/CIF]
.
The crystal structure described by LiMn2OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(10), one F(4), one F(5), and one F(7) atom to form LiOF5 octahedra that share corners with two equivalent Mn(3)O2F4 octahedra, corners with two equivalent Mn(2)OF5 octahedra, corners with four equivalent Mn(4)F6 octahedra, and edges with two equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Li site, Li(2) is bonded to one O(2), one F(2), one F(3), one F(6), one F(8), and one F(9) atom to form distorted LiOF5 octahedra that share corners with two equivalent Mn(4)F6 octahedra, corners with two equivalent Mn(1)OF5 octahedra, corners with four equivalent Mn(2)OF5 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(10), one F(3), one F(4), one F(7), and one F(8) atom to form MnOF5 octahedra that share corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Mn(4)F6 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second Mn site, Mn(2) is bonded to one O(2), one F(1), one F(2), one F(5), one F(6), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Li(2)OF5 octahedra, and edges with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one F(3), one F(7), one F(8), and one F(9) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Li(1)OF5 octahedra, corners with two equivalent Mn(2)OF5 octahedra, corners with four equivalent Mn(1)OF5 octahedra, and edges with two equivalent Li(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the fourth Mn site, Mn(4) is bonded to one F(1), one F(10), one F(2), one F(4), one F(5), and one F(6) atom to form MnF6 octahedra that share corners with two equivalent Li(2)OF5 octahedra, corners with two equivalent Mn(1)OF5 octahedra, corners with four equivalent Li(1)OF5 octahedra, and edges with two equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(3) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.732
_cell_length_b   17.293
_cell_length_c   5.120
_cell_angle_alpha   88.547
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.857
_cell_formula_units_Z   4
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  0.010  0.382  0.251  1.0
  Li  Li1  1  0.989  0.611  0.746  1.0
  Li  Li2  1  0.490  0.882  0.251  1.0
  Li  Li3  1  0.511  0.111  0.746  1.0
  Mn  Mn4  1  0.010  0.282  0.764  1.0
  Mn  Mn5  1  0.018  0.055  0.249  1.0
  Mn  Mn6  1  0.044  0.710  0.225  1.0
  Mn  Mn7  1  0.999  0.946  0.757  1.0
  Mn  Mn8  1  0.456  0.210  0.225  1.0
  Mn  Mn9  1  0.482  0.555  0.249  1.0
  Mn  Mn10  1  0.490  0.782  0.764  1.0
  Mn  Mn11  1  0.501  0.446  0.757  1.0
  O  O12  1  0.262  0.785  0.068  1.0
  O  O13  1  0.244  0.628  0.084  1.0
  O  O14  1  0.256  0.128  0.084  1.0
  O  O15  1  0.238  0.285  0.068  1.0
  F  F16  1  0.237  0.959  0.084  1.0
  F  F17  1  0.232  0.045  0.569  1.0
  F  F18  1  0.263  0.209  0.562  1.0
  F  F19  1  0.227  0.371  0.583  1.0
  F  F20  1  0.273  0.871  0.583  1.0
  F  F21  1  0.237  0.709  0.562  1.0
  F  F22  1  0.263  0.459  0.084  1.0
  F  F23  1  0.268  0.545  0.569  1.0
  F  F24  1  0.711  0.473  0.409  1.0
  F  F25  1  0.711  0.543  0.931  1.0
  F  F26  1  0.771  0.291  0.452  1.0
  F  F27  1  0.786  0.707  0.936  1.0
  F  F28  1  0.713  0.136  0.406  1.0
  F  F29  1  0.714  0.868  0.922  1.0
  F  F30  1  0.786  0.368  0.922  1.0
  F  F31  1  0.787  0.636  0.406  1.0
  F  F32  1  0.729  0.791  0.452  1.0
  F  F33  1  0.714  0.207  0.936  1.0
  F  F34  1  0.789  0.043  0.931  1.0
  F  F35  1  0.789  0.973  0.409  1.0
[/CIF]
.