The structure described by Li4Mn5SbO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with three equivalent Mn(2)O6 octahedra and edges with three equivalent Sb(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. Sb(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SbO6 octahedra that share edges with six equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(2) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.277
_cell_length_c   10.631
_cell_angle_alpha   85.021
_cell_angle_beta   85.021
_cell_angle_gamma   116.771
_symmetry_Int_Tables_number   1
_cell_volume   260.699
_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  0.431  0.077  0.711  1.0
  Li  Li1  1  0.923  0.569  0.289  1.0
  Li  Li2  1  0.077  0.431  0.711  1.0
  Li  Li3  1  0.569  0.923  0.289  1.0
  Mn  Mn4  1  0.836  0.164  0.500  1.0
  Mn  Mn5  1  0.666  0.334  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.334  0.666  0.000  1.0
  Mn  Mn8  1  0.164  0.836  0.500  1.0
  Sb  Sb9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.662  0.999  0.104  1.0
  O  O11  1  0.001  0.338  0.896  1.0
  O  O12  1  0.591  0.226  0.391  1.0
  O  O13  1  0.774  0.409  0.609  1.0
  O  O14  1  0.157  0.157  0.590  1.0
  O  O15  1  0.301  0.301  0.088  1.0
  O  O16  1  0.699  0.699  0.912  1.0
  O  O17  1  0.843  0.843  0.410  1.0
  O  O18  1  0.226  0.591  0.391  1.0
  O  O19  1  0.409  0.774  0.609  1.0
  O  O20  1  0.999  0.662  0.104  1.0
  O  O21  1  0.338  0.001  0.896  1.0
[/CIF]
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The structure described by Li4Mn5SbO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with three equivalent Mn(2)O6 octahedra and edges with three equivalent Sb(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. Sb(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SbO6 octahedra that share edges with six equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(2) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn5SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.277
_cell_length_c   10.631
_cell_angle_alpha   85.021
_cell_angle_beta   85.021
_cell_angle_gamma   116.771
_symmetry_Int_Tables_number   1
_cell_volume   260.699
_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  0.431  0.077  0.711  1.0
  Li  Li1  1  0.923  0.569  0.289  1.0
  Li  Li2  1  0.077  0.431  0.711  1.0
  Li  Li3  1  0.569  0.923  0.289  1.0
  Mn  Mn4  1  0.836  0.164  0.500  1.0
  Mn  Mn5  1  0.666  0.334  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.334  0.666  0.000  1.0
  Mn  Mn8  1  0.164  0.836  0.500  1.0
  Sb  Sb9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.662  0.999  0.104  1.0
  O  O11  1  0.001  0.338  0.896  1.0
  O  O12  1  0.591  0.226  0.391  1.0
  O  O13  1  0.774  0.409  0.609  1.0
  O  O14  1  0.157  0.157  0.590  1.0
  O  O15  1  0.301  0.301  0.088  1.0
  O  O16  1  0.699  0.699  0.912  1.0
  O  O17  1  0.843  0.843  0.410  1.0
  O  O18  1  0.226  0.591  0.391  1.0
  O  O19  1  0.409  0.774  0.609  1.0
  O  O20  1  0.999  0.662  0.104  1.0
  O  O21  1  0.338  0.001  0.896  1.0
[/CIF]
.