The crystal structure described by Li2Mn7F18 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(2), one F(6), and two equivalent F(9) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 36-63°. In the second Mn site, Mn(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(9) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. In the third Mn site, Mn(3) is bonded to one F(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth Mn site, Mn(4) is bonded to one F(4), one F(6), one F(7), one F(8), and two equivalent F(5) atoms to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. There are nine 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(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Mn(3) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li2Mn7F18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.670
_cell_length_c   7.906
_cell_angle_alpha   96.317
_cell_angle_beta   93.256
_cell_angle_gamma   117.025
_symmetry_Int_Tables_number   1
_cell_volume   385.118
_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
  Li  Li0  1  0.365  0.850  0.572  1.0
  Li  Li1  1  0.635  0.150  0.428  1.0
  Mn  Mn2  1  0.217  0.888  0.177  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.185  0.395  0.213  1.0
  Mn  Mn5  1  0.383  0.267  0.874  1.0
  Mn  Mn6  1  0.617  0.733  0.126  1.0
  Mn  Mn7  1  0.815  0.605  0.787  1.0
  Mn  Mn8  1  0.783  0.112  0.823  1.0
  F  F9  1  0.076  0.745  0.929  1.0
  F  F10  1  0.162  0.646  0.302  1.0
  F  F11  1  0.065  0.261  0.401  1.0
  F  F12  1  0.080  0.139  0.752  1.0
  F  F13  1  0.311  0.505  0.005  1.0
  F  F14  1  0.541  0.962  0.202  1.0
  F  F15  1  0.469  0.545  0.316  1.0
  F  F16  1  0.277  0.167  0.107  1.0
  F  F17  1  0.684  0.967  0.551  1.0
  F  F18  1  0.316  0.033  0.449  1.0
  F  F19  1  0.723  0.833  0.893  1.0
  F  F20  1  0.531  0.455  0.684  1.0
  F  F21  1  0.459  0.038  0.798  1.0
  F  F22  1  0.689  0.495  0.995  1.0
  F  F23  1  0.920  0.861  0.248  1.0
  F  F24  1  0.935  0.739  0.599  1.0
  F  F25  1  0.838  0.354  0.698  1.0
  F  F26  1  0.924  0.255  0.071  1.0
[/CIF]
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The crystal structure described by Li2Mn7F18 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(2), one F(6), and two equivalent F(9) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 36-63°. In the second Mn site, Mn(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(9) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. In the third Mn site, Mn(3) is bonded to one F(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth Mn site, Mn(4) is bonded to one F(4), one F(6), one F(7), one F(8), and two equivalent F(5) atoms to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. There are nine 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(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(4) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one Mn(3) and one Mn(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Li2Mn7F18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.670
_cell_length_c   7.906
_cell_angle_alpha   96.317
_cell_angle_beta   93.256
_cell_angle_gamma   117.025
_symmetry_Int_Tables_number   1
_cell_volume   385.118
_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
  Li  Li0  1  0.365  0.850  0.572  1.0
  Li  Li1  1  0.635  0.150  0.428  1.0
  Mn  Mn2  1  0.217  0.888  0.177  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.185  0.395  0.213  1.0
  Mn  Mn5  1  0.383  0.267  0.874  1.0
  Mn  Mn6  1  0.617  0.733  0.126  1.0
  Mn  Mn7  1  0.815  0.605  0.787  1.0
  Mn  Mn8  1  0.783  0.112  0.823  1.0
  F  F9  1  0.076  0.745  0.929  1.0
  F  F10  1  0.162  0.646  0.302  1.0
  F  F11  1  0.065  0.261  0.401  1.0
  F  F12  1  0.080  0.139  0.752  1.0
  F  F13  1  0.311  0.505  0.005  1.0
  F  F14  1  0.541  0.962  0.202  1.0
  F  F15  1  0.469  0.545  0.316  1.0
  F  F16  1  0.277  0.167  0.107  1.0
  F  F17  1  0.684  0.967  0.551  1.0
  F  F18  1  0.316  0.033  0.449  1.0
  F  F19  1  0.723  0.833  0.893  1.0
  F  F20  1  0.531  0.455  0.684  1.0
  F  F21  1  0.459  0.038  0.798  1.0
  F  F22  1  0.689  0.495  0.995  1.0
  F  F23  1  0.920  0.861  0.248  1.0
  F  F24  1  0.935  0.739  0.599  1.0
  F  F25  1  0.838  0.354  0.698  1.0
  F  F26  1  0.924  0.255  0.071  1.0
[/CIF]
.