The structure described by LiMn2F7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(3), one F(5), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the second Mn site, Mn(2) is bonded to one F(4), one F(5), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Mn(2) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_LiMn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   7.319
_cell_length_c   12.679
_cell_angle_alpha   84.676
_cell_angle_beta   90.005
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   452.711
_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  0.247  0.172  0.085  1.0
  Li  Li1  1  0.253  0.672  0.085  1.0
  Li  Li2  1  0.747  0.328  0.915  1.0
  Li  Li3  1  0.753  0.828  0.915  1.0
  Mn  Mn4  1  0.751  0.353  0.178  1.0
  Mn  Mn5  1  0.749  0.853  0.178  1.0
  Mn  Mn6  1  0.243  0.280  0.391  1.0
  Mn  Mn7  1  0.256  0.780  0.391  1.0
  Mn  Mn8  1  0.744  0.220  0.609  1.0
  Mn  Mn9  1  0.757  0.720  0.609  1.0
  Mn  Mn10  1  0.251  0.147  0.822  1.0
  Mn  Mn11  1  0.249  0.647  0.822  1.0
  F  F12  1  0.059  0.438  0.110  1.0
  F  F13  1  0.575  0.316  0.050  1.0
  F  F14  1  0.918  0.101  0.174  1.0
  F  F15  1  0.441  0.938  0.110  1.0
  F  F16  1  0.925  0.815  0.050  1.0
  F  F17  1  0.582  0.601  0.174  1.0
  F  F18  1  0.931  0.366  0.312  1.0
  F  F19  1  0.448  0.254  0.249  1.0
  F  F20  1  0.569  0.866  0.312  1.0
  F  F21  1  0.052  0.754  0.249  1.0
  F  F22  1  0.371  0.529  0.388  1.0
  F  F23  1  0.129  0.029  0.388  1.0
  F  F24  1  0.545  0.200  0.472  1.0
  F  F25  1  0.045  0.301  0.528  1.0
  F  F26  1  0.955  0.699  0.472  1.0
  F  F27  1  0.455  0.800  0.528  1.0
  F  F28  1  0.871  0.971  0.612  1.0
  F  F29  1  0.629  0.471  0.612  1.0
  F  F30  1  0.948  0.246  0.751  1.0
  F  F31  1  0.431  0.134  0.688  1.0
  F  F32  1  0.552  0.746  0.751  1.0
  F  F33  1  0.069  0.634  0.688  1.0
  F  F34  1  0.418  0.399  0.826  1.0
  F  F35  1  0.075  0.185  0.950  1.0
  F  F36  1  0.559  0.062  0.890  1.0
  F  F37  1  0.082  0.899  0.826  1.0
  F  F38  1  0.425  0.684  0.950  1.0
  F  F39  1  0.941  0.562  0.890  1.0
[/CIF]
.
The structure described by LiMn2F7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(3), one F(5), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the second Mn site, Mn(2) is bonded to one F(4), one F(5), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Mn(2) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_LiMn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   7.319
_cell_length_c   12.679
_cell_angle_alpha   84.676
_cell_angle_beta   90.005
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   452.711
_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  0.247  0.172  0.085  1.0
  Li  Li1  1  0.253  0.672  0.085  1.0
  Li  Li2  1  0.747  0.328  0.915  1.0
  Li  Li3  1  0.753  0.828  0.915  1.0
  Mn  Mn4  1  0.751  0.353  0.178  1.0
  Mn  Mn5  1  0.749  0.853  0.178  1.0
  Mn  Mn6  1  0.243  0.280  0.391  1.0
  Mn  Mn7  1  0.256  0.780  0.391  1.0
  Mn  Mn8  1  0.744  0.220  0.609  1.0
  Mn  Mn9  1  0.757  0.720  0.609  1.0
  Mn  Mn10  1  0.251  0.147  0.822  1.0
  Mn  Mn11  1  0.249  0.647  0.822  1.0
  F  F12  1  0.059  0.438  0.110  1.0
  F  F13  1  0.575  0.316  0.050  1.0
  F  F14  1  0.918  0.101  0.174  1.0
  F  F15  1  0.441  0.938  0.110  1.0
  F  F16  1  0.925  0.815  0.050  1.0
  F  F17  1  0.582  0.601  0.174  1.0
  F  F18  1  0.931  0.366  0.312  1.0
  F  F19  1  0.448  0.254  0.249  1.0
  F  F20  1  0.569  0.866  0.312  1.0
  F  F21  1  0.052  0.754  0.249  1.0
  F  F22  1  0.371  0.529  0.388  1.0
  F  F23  1  0.129  0.029  0.388  1.0
  F  F24  1  0.545  0.200  0.472  1.0
  F  F25  1  0.045  0.301  0.528  1.0
  F  F26  1  0.955  0.699  0.472  1.0
  F  F27  1  0.455  0.800  0.528  1.0
  F  F28  1  0.871  0.971  0.612  1.0
  F  F29  1  0.629  0.471  0.612  1.0
  F  F30  1  0.948  0.246  0.751  1.0
  F  F31  1  0.431  0.134  0.688  1.0
  F  F32  1  0.552  0.746  0.751  1.0
  F  F33  1  0.069  0.634  0.688  1.0
  F  F34  1  0.418  0.399  0.826  1.0
  F  F35  1  0.075  0.185  0.950  1.0
  F  F36  1  0.559  0.062  0.890  1.0
  F  F37  1  0.082  0.899  0.826  1.0
  F  F38  1  0.425  0.684  0.950  1.0
  F  F39  1  0.941  0.562  0.890  1.0
[/CIF]
.