The material described by LiMn2F7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(3), one F(5), one F(9), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(11), one F(5), one F(9), and two equivalent F(12) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(10), one F(4), one F(7), and two equivalent F(6) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second Mn site, Mn(2) is bonded to one F(1), one F(11), one F(2), one F(3), one F(5), and one F(7) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the third Mn site, Mn(3) is bonded to one F(11), one F(12), one F(13), one F(3), one F(8), and one F(9) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(13), one F(4), one F(8), and two equivalent F(14) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Mn(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(3) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to two equivalent Mn(4) atoms. is represented by the CIF card [CIF]
data_LiMn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   7.509
_cell_length_c   13.258
_cell_angle_alpha   81.875
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.201
_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  0.280  0.858  0.560  1.0
  Li  Li1  1  0.773  0.600  0.428  1.0
  Li  Li2  1  0.273  0.400  0.572  1.0
  Li  Li3  1  0.780  0.142  0.440  1.0
  Mn  Mn4  1  0.770  0.975  0.107  1.0
  Mn  Mn5  1  0.261  0.919  0.317  1.0
  Mn  Mn6  1  0.761  0.582  0.683  1.0
  Mn  Mn7  1  0.261  0.525  0.895  1.0
  Mn  Mn8  1  0.761  0.475  0.105  1.0
  Mn  Mn9  1  0.261  0.418  0.317  1.0
  Mn  Mn10  1  0.761  0.081  0.683  1.0
  Mn  Mn11  1  0.270  0.025  0.893  1.0
  F  F12  1  0.952  0.989  0.798  1.0
  F  F13  1  0.537  0.949  0.410  1.0
  F  F14  1  0.612  0.824  0.665  1.0
  F  F15  1  0.372  0.782  0.882  1.0
  F  F16  1  0.057  0.828  0.428  1.0
  F  F17  1  0.091  0.942  0.013  1.0
  F  F18  1  0.960  0.886  0.228  1.0
  F  F19  1  0.961  0.594  0.820  1.0
  F  F20  1  0.070  0.653  0.617  1.0
  F  F21  1  0.660  0.734  0.097  1.0
  F  F22  1  0.401  0.659  0.310  1.0
  F  F23  1  0.570  0.562  0.551  1.0
  F  F24  1  0.461  0.499  0.760  1.0
  F  F25  1  0.561  0.458  0.972  1.0
  F  F26  1  0.061  0.542  0.028  1.0
  F  F27  1  0.961  0.501  0.240  1.0
  F  F28  1  0.070  0.438  0.449  1.0
  F  F29  1  0.901  0.341  0.690  1.0
  F  F30  1  0.160  0.266  0.903  1.0
  F  F31  1  0.570  0.347  0.383  1.0
  F  F32  1  0.461  0.406  0.180  1.0
  F  F33  1  0.460  0.114  0.772  1.0
  F  F34  1  0.591  0.058  0.987  1.0
  F  F35  1  0.557  0.172  0.572  1.0
  F  F36  1  0.872  0.218  0.118  1.0
  F  F37  1  0.112  0.176  0.335  1.0
  F  F38  1  0.037  0.051  0.590  1.0
  F  F39  1  0.452  0.011  0.202  1.0
[/CIF]
.
The material described by LiMn2F7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(3), one F(5), one F(9), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one F(11), one F(5), one F(9), and two equivalent F(12) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(10), one F(4), one F(7), and two equivalent F(6) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second Mn site, Mn(2) is bonded to one F(1), one F(11), one F(2), one F(3), one F(5), and one F(7) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the third Mn site, Mn(3) is bonded to one F(11), one F(12), one F(13), one F(3), one F(8), and one F(9) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the fourth Mn site, Mn(4) is bonded to one F(10), one F(13), one F(4), one F(8), and two equivalent F(14) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Mn(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one Mn(3) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(3) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to two equivalent Mn(4) atoms. is represented by the CIF card [CIF]
data_LiMn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.096
_cell_length_b   7.509
_cell_length_c   13.258
_cell_angle_alpha   81.875
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.201
_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  0.280  0.858  0.560  1.0
  Li  Li1  1  0.773  0.600  0.428  1.0
  Li  Li2  1  0.273  0.400  0.572  1.0
  Li  Li3  1  0.780  0.142  0.440  1.0
  Mn  Mn4  1  0.770  0.975  0.107  1.0
  Mn  Mn5  1  0.261  0.919  0.317  1.0
  Mn  Mn6  1  0.761  0.582  0.683  1.0
  Mn  Mn7  1  0.261  0.525  0.895  1.0
  Mn  Mn8  1  0.761  0.475  0.105  1.0
  Mn  Mn9  1  0.261  0.418  0.317  1.0
  Mn  Mn10  1  0.761  0.081  0.683  1.0
  Mn  Mn11  1  0.270  0.025  0.893  1.0
  F  F12  1  0.952  0.989  0.798  1.0
  F  F13  1  0.537  0.949  0.410  1.0
  F  F14  1  0.612  0.824  0.665  1.0
  F  F15  1  0.372  0.782  0.882  1.0
  F  F16  1  0.057  0.828  0.428  1.0
  F  F17  1  0.091  0.942  0.013  1.0
  F  F18  1  0.960  0.886  0.228  1.0
  F  F19  1  0.961  0.594  0.820  1.0
  F  F20  1  0.070  0.653  0.617  1.0
  F  F21  1  0.660  0.734  0.097  1.0
  F  F22  1  0.401  0.659  0.310  1.0
  F  F23  1  0.570  0.562  0.551  1.0
  F  F24  1  0.461  0.499  0.760  1.0
  F  F25  1  0.561  0.458  0.972  1.0
  F  F26  1  0.061  0.542  0.028  1.0
  F  F27  1  0.961  0.501  0.240  1.0
  F  F28  1  0.070  0.438  0.449  1.0
  F  F29  1  0.901  0.341  0.690  1.0
  F  F30  1  0.160  0.266  0.903  1.0
  F  F31  1  0.570  0.347  0.383  1.0
  F  F32  1  0.461  0.406  0.180  1.0
  F  F33  1  0.460  0.114  0.772  1.0
  F  F34  1  0.591  0.058  0.987  1.0
  F  F35  1  0.557  0.172  0.572  1.0
  F  F36  1  0.872  0.218  0.118  1.0
  F  F37  1  0.112  0.176  0.335  1.0
  F  F38  1  0.037  0.051  0.590  1.0
  F  F39  1  0.452  0.011  0.202  1.0
[/CIF]
.