The compound described by Li8TiMn3(PO4)6 crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a distorted T-shaped geometry to one O(4), one O(6), and one O(8) atom. Ti(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(8) atoms. In the third Mn site, Mn(3) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-52°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the second O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), and one P(2) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a linear geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(1) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(3), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Ti(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li8TiMn3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.921
_cell_length_b   8.921
_cell_length_c   8.921
_cell_angle_alpha   60.853
_cell_angle_beta   60.853
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   511.629
_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  0.035  0.035  0.035  1.0
  Li  Li1  1  0.763  0.357  0.198  1.0
  Li  Li2  1  0.198  0.763  0.357  1.0
  Li  Li3  1  0.357  0.198  0.763  1.0
  Li  Li4  1  0.526  0.526  0.526  1.0
  Li  Li5  1  0.681  0.866  0.276  1.0
  Li  Li6  1  0.866  0.276  0.681  1.0
  Li  Li7  1  0.276  0.681  0.866  1.0
  Ti  Ti8  1  0.851  0.851  0.851  1.0
  Mn  Mn9  1  0.161  0.161  0.161  1.0
  Mn  Mn10  1  0.657  0.657  0.657  1.0
  Mn  Mn11  1  0.352  0.352  0.352  1.0
  P  P12  1  0.451  0.753  0.046  1.0
  P  P13  1  0.753  0.046  0.451  1.0
  P  P14  1  0.046  0.451  0.753  1.0
  P  P15  1  0.941  0.556  0.245  1.0
  P  P16  1  0.245  0.941  0.556  1.0
  P  P17  1  0.556  0.245  0.941  1.0
  O  O18  1  0.269  0.910  0.078  1.0
  O  O19  1  0.617  0.815  0.976  1.0
  O  O20  1  0.450  0.597  0.231  1.0
  O  O21  1  0.695  0.902  0.465  1.0
  O  O22  1  0.910  0.078  0.269  1.0
  O  O23  1  0.597  0.231  0.450  1.0
  O  O24  1  0.902  0.465  0.695  1.0
  O  O25  1  0.231  0.450  0.597  1.0
  O  O26  1  0.957  0.399  0.203  1.0
  O  O27  1  0.904  0.742  0.085  1.0
  O  O28  1  0.465  0.695  0.902  1.0
  O  O29  1  0.203  0.957  0.399  1.0
  O  O30  1  0.815  0.976  0.617  1.0
  O  O31  1  0.524  0.270  0.113  1.0
  O  O32  1  0.078  0.269  0.910  1.0
  O  O33  1  0.976  0.617  0.815  1.0
  O  O34  1  0.762  0.586  0.407  1.0
  O  O35  1  0.113  0.524  0.270  1.0
  O  O36  1  0.407  0.762  0.586  1.0
  O  O37  1  0.085  0.904  0.742  1.0
  O  O38  1  0.270  0.113  0.524  1.0
  O  O39  1  0.399  0.203  0.957  1.0
  O  O40  1  0.586  0.407  0.762  1.0
  O  O41  1  0.742  0.085  0.904  1.0
[/CIF]
.
The compound described by Li8TiMn3(PO4)6 crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a distorted T-shaped geometry to one O(4), one O(6), and one O(8) atom. Ti(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(8) atoms. In the third Mn site, Mn(3) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-52°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra and  a cornercorner with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the second O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), and one P(2) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a linear geometry to one Ti(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(1) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(3), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Ti(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li8TiMn3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.921
_cell_length_b   8.921
_cell_length_c   8.921
_cell_angle_alpha   60.853
_cell_angle_beta   60.853
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   511.629
_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  0.035  0.035  0.035  1.0
  Li  Li1  1  0.763  0.357  0.198  1.0
  Li  Li2  1  0.198  0.763  0.357  1.0
  Li  Li3  1  0.357  0.198  0.763  1.0
  Li  Li4  1  0.526  0.526  0.526  1.0
  Li  Li5  1  0.681  0.866  0.276  1.0
  Li  Li6  1  0.866  0.276  0.681  1.0
  Li  Li7  1  0.276  0.681  0.866  1.0
  Ti  Ti8  1  0.851  0.851  0.851  1.0
  Mn  Mn9  1  0.161  0.161  0.161  1.0
  Mn  Mn10  1  0.657  0.657  0.657  1.0
  Mn  Mn11  1  0.352  0.352  0.352  1.0
  P  P12  1  0.451  0.753  0.046  1.0
  P  P13  1  0.753  0.046  0.451  1.0
  P  P14  1  0.046  0.451  0.753  1.0
  P  P15  1  0.941  0.556  0.245  1.0
  P  P16  1  0.245  0.941  0.556  1.0
  P  P17  1  0.556  0.245  0.941  1.0
  O  O18  1  0.269  0.910  0.078  1.0
  O  O19  1  0.617  0.815  0.976  1.0
  O  O20  1  0.450  0.597  0.231  1.0
  O  O21  1  0.695  0.902  0.465  1.0
  O  O22  1  0.910  0.078  0.269  1.0
  O  O23  1  0.597  0.231  0.450  1.0
  O  O24  1  0.902  0.465  0.695  1.0
  O  O25  1  0.231  0.450  0.597  1.0
  O  O26  1  0.957  0.399  0.203  1.0
  O  O27  1  0.904  0.742  0.085  1.0
  O  O28  1  0.465  0.695  0.902  1.0
  O  O29  1  0.203  0.957  0.399  1.0
  O  O30  1  0.815  0.976  0.617  1.0
  O  O31  1  0.524  0.270  0.113  1.0
  O  O32  1  0.078  0.269  0.910  1.0
  O  O33  1  0.976  0.617  0.815  1.0
  O  O34  1  0.762  0.586  0.407  1.0
  O  O35  1  0.113  0.524  0.270  1.0
  O  O36  1  0.407  0.762  0.586  1.0
  O  O37  1  0.085  0.904  0.742  1.0
  O  O38  1  0.270  0.113  0.524  1.0
  O  O39  1  0.399  0.203  0.957  1.0
  O  O40  1  0.586  0.407  0.762  1.0
  O  O41  1  0.742  0.085  0.904  1.0
[/CIF]
.