The material structure described by LiMn3F10 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one F(2), one F(6), and one F(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(7), and two equivalent F(9) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(11), one F(4), one F(6), and one F(8) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third Mn site, Mn(3) is bonded to one F(1), one F(8), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to two equivalent Mn(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the ninth F site, F(9) is bonded in a water-like geometry to two equivalent Mn(1) atoms. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the eleventh F site, F(11) is bonded in a linear geometry to two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_LiMn3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.167
_cell_length_b   8.076
_cell_length_c   9.624
_cell_angle_alpha   110.200
_cell_angle_beta   108.622
_cell_angle_gamma   91.609
_symmetry_Int_Tables_number   1
_cell_volume   421.102
_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  0.691  0.521  0.382  1.0
  Li  Li1  1  0.309  0.479  0.618  1.0
  Mn  Mn2  1  0.919  0.511  0.836  1.0
  Mn  Mn3  1  0.814  0.987  0.630  1.0
  Mn  Mn4  1  0.253  0.998  0.999  1.0
  Mn  Mn5  1  0.186  0.013  0.370  1.0
  Mn  Mn6  1  0.081  0.489  0.164  1.0
  Mn  Mn7  1  0.747  0.002  0.001  1.0
  F  F8  1  0.344  0.025  0.213  1.0
  F  F9  1  0.366  0.473  0.295  1.0
  F  F10  1  0.997  0.817  0.953  1.0
  F  F11  1  0.867  0.235  0.730  1.0
  F  F12  1  0.502  0.174  0.045  1.0
  F  F13  1  0.767  0.742  0.541  1.0
  F  F14  1  0.927  0.472  0.296  1.0
  F  F15  1  0.131  0.979  0.789  1.0
  F  F16  1  0.199  0.501  0.001  1.0
  F  F17  1  0.000  0.000  0.500  1.0
  F  F18  1  0.869  0.021  0.211  1.0
  F  F19  1  0.073  0.528  0.704  1.0
  F  F20  1  0.233  0.258  0.459  1.0
  F  F21  1  0.498  0.826  0.955  1.0
  F  F22  1  0.133  0.765  0.270  1.0
  F  F23  1  0.003  0.183  0.047  1.0
  F  F24  1  0.634  0.527  0.705  1.0
  F  F25  1  0.500  0.000  0.500  1.0
  F  F26  1  0.801  0.499  0.999  1.0
  F  F27  1  0.656  0.975  0.787  1.0
[/CIF]
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The material structure described by LiMn3F10 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one F(2), one F(6), and one F(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(3), one F(4), one F(7), and two equivalent F(9) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(11), one F(4), one F(6), and one F(8) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third Mn site, Mn(3) is bonded to one F(1), one F(8), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to two equivalent Mn(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the ninth F site, F(9) is bonded in a water-like geometry to two equivalent Mn(1) atoms. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Mn(2) atoms. In the eleventh F site, F(11) is bonded in a linear geometry to two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_LiMn3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.167
_cell_length_b   8.076
_cell_length_c   9.624
_cell_angle_alpha   110.200
_cell_angle_beta   108.622
_cell_angle_gamma   91.609
_symmetry_Int_Tables_number   1
_cell_volume   421.102
_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  0.691  0.521  0.382  1.0
  Li  Li1  1  0.309  0.479  0.618  1.0
  Mn  Mn2  1  0.919  0.511  0.836  1.0
  Mn  Mn3  1  0.814  0.987  0.630  1.0
  Mn  Mn4  1  0.253  0.998  0.999  1.0
  Mn  Mn5  1  0.186  0.013  0.370  1.0
  Mn  Mn6  1  0.081  0.489  0.164  1.0
  Mn  Mn7  1  0.747  0.002  0.001  1.0
  F  F8  1  0.344  0.025  0.213  1.0
  F  F9  1  0.366  0.473  0.295  1.0
  F  F10  1  0.997  0.817  0.953  1.0
  F  F11  1  0.867  0.235  0.730  1.0
  F  F12  1  0.502  0.174  0.045  1.0
  F  F13  1  0.767  0.742  0.541  1.0
  F  F14  1  0.927  0.472  0.296  1.0
  F  F15  1  0.131  0.979  0.789  1.0
  F  F16  1  0.199  0.501  0.001  1.0
  F  F17  1  0.000  0.000  0.500  1.0
  F  F18  1  0.869  0.021  0.211  1.0
  F  F19  1  0.073  0.528  0.704  1.0
  F  F20  1  0.233  0.258  0.459  1.0
  F  F21  1  0.498  0.826  0.955  1.0
  F  F22  1  0.133  0.765  0.270  1.0
  F  F23  1  0.003  0.183  0.047  1.0
  F  F24  1  0.634  0.527  0.705  1.0
  F  F25  1  0.500  0.000  0.500  1.0
  F  F26  1  0.801  0.499  0.999  1.0
  F  F27  1  0.656  0.975  0.787  1.0
[/CIF]
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