The compound described by Li8TiMn3(PO4)6 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(2), and one O(21) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the second Li site, Li(2) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the third Li site, Li(3) is bonded to one O(12), one O(20), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the fourth Li site, Li(4) is bonded in a distorted T-shaped geometry to one O(14), one O(3), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(11), one O(18), one O(19), and one O(22) atom. In the sixth Li site, Li(6) is bonded to one O(13), one O(16), one O(21), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-71°. In the seventh Li site, Li(7) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. In the eighth Li site, Li(8) is bonded to one O(15), one O(23), one O(24), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-72°. Ti(1) is bonded to one O(11), one O(13), one O(15), one O(19), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(20), one O(21), one O(24), one O(3), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(17), one O(18), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(16), one O(22), one O(23), one O(4), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-53°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 17-58°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 26-55°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-55°. In the fifth P site, P(5) is bonded to one O(17), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-58°. In the sixth P site, P(6) is bonded to one O(13), one O(18), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(7), one Mn(3), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(8), one Mn(3), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Mn(3), and one P(3) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Ti(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(5), one Ti(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(6), one Ti(1), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(8), one Ti(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(5), one Mn(2), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Ti(1), and one P(5) atom. In the twentieth O site, O(20) is bonded to one Li(3), one Li(7), one Mn(1), and one P(4) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(6), one Mn(1), and one P(5) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Mn(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(8), one Mn(3), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(8), one Mn(1), and one P(6) atom to form distorted corner-sharing OLi2MnP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8TiMn3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.446
_cell_length_b   8.515
_cell_length_c   9.252
_cell_angle_alpha   90.632
_cell_angle_beta   116.974
_cell_angle_gamma   119.228
_symmetry_Int_Tables_number   1
_cell_volume   493.883
_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  0.187  0.264  0.862  1.0
  Li  Li1  1  0.626  0.935  0.897  1.0
  Li  Li2  1  0.934  0.665  0.853  1.0
  Li  Li3  1  0.329  0.779  0.586  1.0
  Li  Li4  1  0.682  0.197  0.415  1.0
  Li  Li5  1  0.066  0.347  0.148  1.0
  Li  Li6  1  0.380  0.070  0.101  1.0
  Li  Li7  1  0.805  0.724  0.144  1.0
  Ti  Ti8  1  0.297  0.154  0.446  1.0
  Mn  Mn9  1  0.307  0.646  0.964  1.0
  Mn  Mn10  1  0.710  0.849  0.560  1.0
  Mn  Mn11  1  0.691  0.353  0.034  1.0
  P  P12  1  0.211  0.955  0.746  1.0
  P  P13  1  0.493  0.541  0.751  1.0
  P  P14  1  0.797  0.249  0.759  1.0
  P  P15  1  0.203  0.762  0.243  1.0
  P  P16  1  0.496  0.449  0.251  1.0
  P  P17  1  0.801  0.051  0.256  1.0
  O  O18  1  0.344  0.141  0.892  1.0
  O  O19  1  0.326  0.483  0.800  1.0
  O  O20  1  0.319  0.843  0.789  1.0
  O  O21  1  0.701  0.567  0.897  1.0
  O  O22  1  0.751  0.200  0.903  1.0
  O  O23  1  0.553  0.732  0.712  1.0
  O  O24  1  0.203  0.005  0.580  1.0
  O  O25  1  0.399  0.382  0.590  1.0
  O  O26  1  0.959  0.462  0.805  1.0
  O  O27  1  0.881  0.133  0.732  1.0
  O  O28  1  0.586  0.190  0.586  1.0
  O  O29  1  0.989  0.839  0.720  1.0
  O  O30  1  0.034  0.158  0.286  1.0
  O  O31  1  0.402  0.816  0.413  1.0
  O  O32  1  0.123  0.887  0.270  1.0
  O  O33  1  0.031  0.551  0.190  1.0
  O  O34  1  0.592  0.594  0.411  1.0
  O  O35  1  0.808  0.025  0.420  1.0
  O  O36  1  0.421  0.246  0.286  1.0
  O  O37  1  0.249  0.808  0.097  1.0
  O  O38  1  0.290  0.425  0.099  1.0
  O  O39  1  0.703  0.170  0.199  1.0
  O  O40  1  0.656  0.493  0.196  1.0
  O  O41  1  0.666  0.863  0.109  1.0
[/CIF]
.
The compound described by Li8TiMn3(PO4)6 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(2), and one O(21) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the second Li site, Li(2) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-66°. In the third Li site, Li(3) is bonded to one O(12), one O(20), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the fourth Li site, Li(4) is bonded in a distorted T-shaped geometry to one O(14), one O(3), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(11), one O(18), one O(19), and one O(22) atom. In the sixth Li site, Li(6) is bonded to one O(13), one O(16), one O(21), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-71°. In the seventh Li site, Li(7) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. In the eighth Li site, Li(8) is bonded to one O(15), one O(23), one O(24), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-72°. Ti(1) is bonded to one O(11), one O(13), one O(15), one O(19), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(20), one O(21), one O(24), one O(3), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(17), one O(18), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(16), one O(22), one O(23), one O(4), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-53°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 17-58°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 26-55°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-55°. In the fifth P site, P(5) is bonded to one O(17), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-58°. In the sixth P site, P(6) is bonded to one O(13), one O(18), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(7), one Mn(3), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(8), one Mn(3), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Mn(3), and one P(3) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Ti(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(5), one Ti(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(6), one Ti(1), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(8), one Ti(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(5), one Mn(2), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Ti(1), and one P(5) atom. In the twentieth O site, O(20) is bonded to one Li(3), one Li(7), one Mn(1), and one P(4) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(6), one Mn(1), and one P(5) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Mn(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(8), one Mn(3), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(8), one Mn(1), and one P(6) atom to form distorted corner-sharing OLi2MnP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8TiMn3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.446
_cell_length_b   8.515
_cell_length_c   9.252
_cell_angle_alpha   90.632
_cell_angle_beta   116.974
_cell_angle_gamma   119.228
_symmetry_Int_Tables_number   1
_cell_volume   493.883
_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  0.187  0.264  0.862  1.0
  Li  Li1  1  0.626  0.935  0.897  1.0
  Li  Li2  1  0.934  0.665  0.853  1.0
  Li  Li3  1  0.329  0.779  0.586  1.0
  Li  Li4  1  0.682  0.197  0.415  1.0
  Li  Li5  1  0.066  0.347  0.148  1.0
  Li  Li6  1  0.380  0.070  0.101  1.0
  Li  Li7  1  0.805  0.724  0.144  1.0
  Ti  Ti8  1  0.297  0.154  0.446  1.0
  Mn  Mn9  1  0.307  0.646  0.964  1.0
  Mn  Mn10  1  0.710  0.849  0.560  1.0
  Mn  Mn11  1  0.691  0.353  0.034  1.0
  P  P12  1  0.211  0.955  0.746  1.0
  P  P13  1  0.493  0.541  0.751  1.0
  P  P14  1  0.797  0.249  0.759  1.0
  P  P15  1  0.203  0.762  0.243  1.0
  P  P16  1  0.496  0.449  0.251  1.0
  P  P17  1  0.801  0.051  0.256  1.0
  O  O18  1  0.344  0.141  0.892  1.0
  O  O19  1  0.326  0.483  0.800  1.0
  O  O20  1  0.319  0.843  0.789  1.0
  O  O21  1  0.701  0.567  0.897  1.0
  O  O22  1  0.751  0.200  0.903  1.0
  O  O23  1  0.553  0.732  0.712  1.0
  O  O24  1  0.203  0.005  0.580  1.0
  O  O25  1  0.399  0.382  0.590  1.0
  O  O26  1  0.959  0.462  0.805  1.0
  O  O27  1  0.881  0.133  0.732  1.0
  O  O28  1  0.586  0.190  0.586  1.0
  O  O29  1  0.989  0.839  0.720  1.0
  O  O30  1  0.034  0.158  0.286  1.0
  O  O31  1  0.402  0.816  0.413  1.0
  O  O32  1  0.123  0.887  0.270  1.0
  O  O33  1  0.031  0.551  0.190  1.0
  O  O34  1  0.592  0.594  0.411  1.0
  O  O35  1  0.808  0.025  0.420  1.0
  O  O36  1  0.421  0.246  0.286  1.0
  O  O37  1  0.249  0.808  0.097  1.0
  O  O38  1  0.290  0.425  0.099  1.0
  O  O39  1  0.703  0.170  0.199  1.0
  O  O40  1  0.656  0.493  0.196  1.0
  O  O41  1  0.666  0.863  0.109  1.0
[/CIF]
.