The structure described by Li6Mn2OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Mn(2), one F(10), one F(3), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Mn(1), one F(2), and one F(9) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(1) and one F(10) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(4), and one F(6) atom. In the fifth Li site, Li(5) is bonded in a distorted T-shaped geometry to one F(3), one F(5), and one F(8) atom. In the sixth Li site, Li(6) is bonded in a bent 150 degrees geometry to one F(11), one F(6), and one F(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one Li(2), one O(1), one F(11), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one Li(1), one F(1), and one F(3) atom. O(1) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Mn(1), and one F(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Li(4) and one Mn(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Li(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Li(4) and one O(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Li(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one Mn(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Li(1) atom. In the eighth F site, F(8) is bonded in a 1-coordinate geometry to one Li(1), one Li(5), and one Li(6) atom. In the ninth F site, F(9) is bonded in a 1-coordinate geometry to one Li(2) and one Mn(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Li(1) and one Li(3) atom. In the eleventh F site, F(11) is bonded in a distorted L-shaped geometry to one Li(6) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li6Mn2OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.529
_cell_length_c   8.766
_cell_angle_alpha   107.532
_cell_angle_beta   89.996
_cell_angle_gamma   117.065
_symmetry_Int_Tables_number   1
_cell_volume   206.544
_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  0.205  0.280  0.065  1.0
  Li  Li1  1  0.052  0.710  0.694  1.0
  Li  Li2  1  0.971  0.277  0.328  1.0
  Li  Li3  1  0.266  0.741  0.403  1.0
  Li  Li4  1  0.756  0.672  0.939  1.0
  Li  Li5  1  0.460  0.298  0.830  1.0
  Mn  Mn6  1  0.736  0.333  0.568  1.0
  Mn  Mn7  1  0.518  0.678  0.180  1.0
  O  O8  1  0.787  0.491  0.379  1.0
  F  F9  1  0.285  0.798  0.223  1.0
  F  F10  1  0.779  0.879  0.692  1.0
  F  F11  1  0.688  0.498  0.137  1.0
  F  F12  1  0.712  0.777  0.473  1.0
  F  F13  1  0.242  0.806  0.983  1.0
  F  F14  1  0.319  0.191  0.534  1.0
  F  F15  1  0.777  0.186  0.029  1.0
  F  F16  1  0.330  0.504  0.874  1.0
  F  F17  1  0.152  0.488  0.614  1.0
  F  F18  1  0.214  0.189  0.281  1.0
  F  F19  1  0.723  0.206  0.765  1.0
[/CIF]
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The structure described by Li6Mn2OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Mn(2), one F(10), one F(3), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Mn(1), one F(2), and one F(9) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(1) and one F(10) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(4), and one F(6) atom. In the fifth Li site, Li(5) is bonded in a distorted T-shaped geometry to one F(3), one F(5), and one F(8) atom. In the sixth Li site, Li(6) is bonded in a bent 150 degrees geometry to one F(11), one F(6), and one F(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one Li(2), one O(1), one F(11), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one Li(1), one F(1), and one F(3) atom. O(1) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Mn(1), and one F(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Li(4) and one Mn(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Li(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one Li(4) and one O(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Li(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one Mn(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Li(1) atom. In the eighth F site, F(8) is bonded in a 1-coordinate geometry to one Li(1), one Li(5), and one Li(6) atom. In the ninth F site, F(9) is bonded in a 1-coordinate geometry to one Li(2) and one Mn(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Li(1) and one Li(3) atom. In the eleventh F site, F(11) is bonded in a distorted L-shaped geometry to one Li(6) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li6Mn2OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.529
_cell_length_c   8.766
_cell_angle_alpha   107.532
_cell_angle_beta   89.996
_cell_angle_gamma   117.065
_symmetry_Int_Tables_number   1
_cell_volume   206.544
_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  0.205  0.280  0.065  1.0
  Li  Li1  1  0.052  0.710  0.694  1.0
  Li  Li2  1  0.971  0.277  0.328  1.0
  Li  Li3  1  0.266  0.741  0.403  1.0
  Li  Li4  1  0.756  0.672  0.939  1.0
  Li  Li5  1  0.460  0.298  0.830  1.0
  Mn  Mn6  1  0.736  0.333  0.568  1.0
  Mn  Mn7  1  0.518  0.678  0.180  1.0
  O  O8  1  0.787  0.491  0.379  1.0
  F  F9  1  0.285  0.798  0.223  1.0
  F  F10  1  0.779  0.879  0.692  1.0
  F  F11  1  0.688  0.498  0.137  1.0
  F  F12  1  0.712  0.777  0.473  1.0
  F  F13  1  0.242  0.806  0.983  1.0
  F  F14  1  0.319  0.191  0.534  1.0
  F  F15  1  0.777  0.186  0.029  1.0
  F  F16  1  0.330  0.504  0.874  1.0
  F  F17  1  0.152  0.488  0.614  1.0
  F  F18  1  0.214  0.189  0.281  1.0
  F  F19  1  0.723  0.206  0.765  1.0
[/CIF]
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