The crystal structure described by LiMn2F5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one F(2), one F(3), one F(5), and one F(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one F(1), one F(10), and one F(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(6), and one F(7) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one F(2), one F(4), one F(5), and one F(9) atom. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one F(10), one F(3), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one F(4), one F(6), one F(8), and one F(9) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(1) and one Mn(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Mn(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Mn(3) atom. is represented by the CIF card [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.005
_cell_length_b   8.957
_cell_length_c   6.504
_cell_angle_alpha   91.061
_cell_angle_beta   101.273
_cell_angle_gamma   106.350
_symmetry_Int_Tables_number   1
_cell_volume   437.499
_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  0.446  0.786  0.212  1.0
  Li  Li1  1  0.159  0.318  0.215  1.0
  Li  Li2  1  0.841  0.682  0.785  1.0
  Li  Li3  1  0.554  0.214  0.788  1.0
  Mn  Mn4  1  0.794  0.542  0.186  1.0
  Mn  Mn5  1  0.787  0.033  0.152  1.0
  Mn  Mn6  1  0.567  0.325  0.380  1.0
  Mn  Mn7  1  0.120  0.860  0.387  1.0
  Mn  Mn8  1  0.880  0.140  0.613  1.0
  Mn  Mn9  1  0.433  0.675  0.620  1.0
  Mn  Mn10  1  0.213  0.967  0.848  1.0
  Mn  Mn11  1  0.206  0.458  0.814  1.0
  F  F12  1  0.768  0.734  0.995  1.0
  F  F13  1  0.732  0.256  0.995  1.0
  F  F14  1  0.268  0.744  0.005  1.0
  F  F15  1  0.232  0.266  0.005  1.0
  F  F16  1  0.572  0.552  0.218  1.0
  F  F17  1  0.869  0.866  0.380  1.0
  F  F18  1  0.564  0.031  0.206  1.0
  F  F19  1  0.816  0.309  0.376  1.0
  F  F20  1  0.036  0.555  0.232  1.0
  F  F21  1  0.352  0.833  0.401  1.0
  F  F22  1  0.041  0.066  0.213  1.0
  F  F23  1  0.349  0.391  0.402  1.0
  F  F24  1  0.651  0.609  0.598  1.0
  F  F25  1  0.959  0.934  0.787  1.0
  F  F26  1  0.648  0.167  0.599  1.0
  F  F27  1  0.964  0.445  0.768  1.0
  F  F28  1  0.184  0.691  0.624  1.0
  F  F29  1  0.436  0.969  0.794  1.0
  F  F30  1  0.131  0.134  0.620  1.0
  F  F31  1  0.428  0.448  0.782  1.0
[/CIF]
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The crystal structure described by LiMn2F5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one F(2), one F(3), one F(5), and one F(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one F(1), one F(10), and one F(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(6), and one F(7) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one F(2), one F(4), one F(5), and one F(9) atom. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one F(10), one F(3), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one F(4), one F(6), one F(8), and one F(9) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Li(1) and one Mn(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Mn(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one Mn(4) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Mn(3) atom. is represented by the CIF card [CIF]
data_LiMn2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.005
_cell_length_b   8.957
_cell_length_c   6.504
_cell_angle_alpha   91.061
_cell_angle_beta   101.273
_cell_angle_gamma   106.350
_symmetry_Int_Tables_number   1
_cell_volume   437.499
_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  0.446  0.786  0.212  1.0
  Li  Li1  1  0.159  0.318  0.215  1.0
  Li  Li2  1  0.841  0.682  0.785  1.0
  Li  Li3  1  0.554  0.214  0.788  1.0
  Mn  Mn4  1  0.794  0.542  0.186  1.0
  Mn  Mn5  1  0.787  0.033  0.152  1.0
  Mn  Mn6  1  0.567  0.325  0.380  1.0
  Mn  Mn7  1  0.120  0.860  0.387  1.0
  Mn  Mn8  1  0.880  0.140  0.613  1.0
  Mn  Mn9  1  0.433  0.675  0.620  1.0
  Mn  Mn10  1  0.213  0.967  0.848  1.0
  Mn  Mn11  1  0.206  0.458  0.814  1.0
  F  F12  1  0.768  0.734  0.995  1.0
  F  F13  1  0.732  0.256  0.995  1.0
  F  F14  1  0.268  0.744  0.005  1.0
  F  F15  1  0.232  0.266  0.005  1.0
  F  F16  1  0.572  0.552  0.218  1.0
  F  F17  1  0.869  0.866  0.380  1.0
  F  F18  1  0.564  0.031  0.206  1.0
  F  F19  1  0.816  0.309  0.376  1.0
  F  F20  1  0.036  0.555  0.232  1.0
  F  F21  1  0.352  0.833  0.401  1.0
  F  F22  1  0.041  0.066  0.213  1.0
  F  F23  1  0.349  0.391  0.402  1.0
  F  F24  1  0.651  0.609  0.598  1.0
  F  F25  1  0.959  0.934  0.787  1.0
  F  F26  1  0.648  0.167  0.599  1.0
  F  F27  1  0.964  0.445  0.768  1.0
  F  F28  1  0.184  0.691  0.624  1.0
  F  F29  1  0.436  0.969  0.794  1.0
  F  F30  1  0.131  0.134  0.620  1.0
  F  F31  1  0.428  0.448  0.782  1.0
[/CIF]
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