The material described by Li7Mn(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one O(2), one O(4), one O(5), one O(8), and one F(4) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(3) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(3), one F(1), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one O(6), one O(8), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(5), one O(7), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(4), one O(8), and one F(4) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(3), one F(2), and one F(3) atom. In the ninth Li site, Li(9) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 1-coordinate geometry to one O(5), one O(7), and one F(4) atom. In the eleventh Li site, Li(11) is bonded in a 2-coordinate geometry to one O(4) and one O(8) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one O(2), one O(8), and one F(4) atom. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one O(3), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(5), one Li(9), and one Mn(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(13), one Li(14), and one Li(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(11), one Li(2), one Li(7), one Li(9), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(10), one Li(6), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(2), one Li(5), one Li(7), one Li(9), and one Mn(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(4), and one Li(5) atom. In the second F site, F(2) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Li(12), one Li(4), one Li(6), and one Li(8) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(3), and one Li(8) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(10), one Li(13), one Li(2), and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.428
_cell_length_b   5.778
_cell_length_c   10.039
_cell_angle_alpha   105.193
_cell_angle_beta   87.179
_cell_angle_gamma   115.502
_symmetry_Int_Tables_number   1
_cell_volume   273.521
_cell_formula_units_Z   2
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  0.053  0.964  0.765  1.0
  Li  Li1  1  0.485  0.376  0.252  1.0
  Li  Li2  1  0.532  0.046  0.611  1.0
  Li  Li3  1  0.968  0.449  0.884  1.0
  Li  Li4  1  0.054  0.790  0.556  1.0
  Li  Li5  1  0.528  0.291  0.042  1.0
  Li  Li6  1  0.958  0.642  0.336  1.0
  Li  Li7  1  0.474  0.756  0.941  1.0
  Li  Li8  1  0.958  0.196  0.469  1.0
  Li  Li9  1  0.989  0.505  0.110  1.0
  Li  Li10  1  0.493  0.973  0.383  1.0
  Li  Li11  1  0.475  0.570  0.727  1.0
  Li  Li12  1  0.004  0.099  0.253  1.0
  Li  Li13  1  0.528  0.861  0.172  1.0
  Mn  Mn14  1  0.003  0.962  0.039  1.0
  Mn  Mn15  1  0.504  0.502  0.493  1.0
  O  O16  1  0.249  0.165  0.598  1.0
  O  O17  1  0.293  0.040  0.198  1.0
  O  O18  1  0.160  0.800  0.963  1.0
  O  O19  1  0.670  0.314  0.434  1.0
  O  O20  1  0.696  0.632  0.108  1.0
  O  O21  1  0.340  0.700  0.539  1.0
  O  O22  1  0.827  0.175  0.060  1.0
  O  O23  1  0.777  0.841  0.389  1.0
  F  F24  1  0.835  0.594  0.711  1.0
  F  F25  1  0.290  0.389  0.891  1.0
  F  F26  1  0.685  0.926  0.787  1.0
  F  F27  1  0.173  0.443  0.286  1.0
[/CIF]
.
The material described by Li7Mn(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one O(2), one O(4), one O(5), one O(8), and one F(4) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(3) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(3), one F(1), and one F(2) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one O(6), one O(8), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(5), one O(7), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(4), one O(8), and one F(4) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(3), one F(2), and one F(3) atom. In the ninth Li site, Li(9) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(8) atom. In the tenth Li site, Li(10) is bonded in a 1-coordinate geometry to one O(5), one O(7), and one F(4) atom. In the eleventh Li site, Li(11) is bonded in a 2-coordinate geometry to one O(4) and one O(8) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), and one F(3) atom. In the thirteenth Li site, Li(13) is bonded in a 2-coordinate geometry to one O(2), one O(8), and one F(4) atom. In the fourteenth Li site, Li(14) is bonded in a 2-coordinate geometry to one O(2) and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one O(3), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a distorted linear geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(5), one Li(9), and one Mn(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(13), one Li(14), and one Li(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Li(8), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(11), one Li(2), one Li(7), one Li(9), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(10), one Li(6), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(2), one Li(5), one Li(7), one Li(9), and one Mn(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(4), and one Li(5) atom. In the second F site, F(2) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Li(12), one Li(4), one Li(6), and one Li(8) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(12), one Li(3), and one Li(8) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(10), one Li(13), one Li(2), and one Li(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.428
_cell_length_b   5.778
_cell_length_c   10.039
_cell_angle_alpha   105.193
_cell_angle_beta   87.179
_cell_angle_gamma   115.502
_symmetry_Int_Tables_number   1
_cell_volume   273.521
_cell_formula_units_Z   2
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  0.053  0.964  0.765  1.0
  Li  Li1  1  0.485  0.376  0.252  1.0
  Li  Li2  1  0.532  0.046  0.611  1.0
  Li  Li3  1  0.968  0.449  0.884  1.0
  Li  Li4  1  0.054  0.790  0.556  1.0
  Li  Li5  1  0.528  0.291  0.042  1.0
  Li  Li6  1  0.958  0.642  0.336  1.0
  Li  Li7  1  0.474  0.756  0.941  1.0
  Li  Li8  1  0.958  0.196  0.469  1.0
  Li  Li9  1  0.989  0.505  0.110  1.0
  Li  Li10  1  0.493  0.973  0.383  1.0
  Li  Li11  1  0.475  0.570  0.727  1.0
  Li  Li12  1  0.004  0.099  0.253  1.0
  Li  Li13  1  0.528  0.861  0.172  1.0
  Mn  Mn14  1  0.003  0.962  0.039  1.0
  Mn  Mn15  1  0.504  0.502  0.493  1.0
  O  O16  1  0.249  0.165  0.598  1.0
  O  O17  1  0.293  0.040  0.198  1.0
  O  O18  1  0.160  0.800  0.963  1.0
  O  O19  1  0.670  0.314  0.434  1.0
  O  O20  1  0.696  0.632  0.108  1.0
  O  O21  1  0.340  0.700  0.539  1.0
  O  O22  1  0.827  0.175  0.060  1.0
  O  O23  1  0.777  0.841  0.389  1.0
  F  F24  1  0.835  0.594  0.711  1.0
  F  F25  1  0.290  0.389  0.891  1.0
  F  F26  1  0.685  0.926  0.787  1.0
  F  F27  1  0.173  0.443  0.286  1.0
[/CIF]
.