The compound described by Li5Mn3(SbO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form OLi2Mn3Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(5)Li4MnSb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(1)Li2Mn3Sb octahedra, edges with two equivalent O(5)Li4MnSb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, and edges with three equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form distorted OLiMn3Sb square pyramids that share  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(5)Li4MnSb octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid,  an edgeedge with one O(5)Li4MnSb octahedra,  an edgeedge with one O(3)Li4Sb2 octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with three equivalent O(1)Li2Mn3Sb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 4-85°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Sb(1) atoms to form OLi4Sb2 octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(5)Li4MnSb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids, edges with three equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(5)Li4MnSb octahedra, edges with three equivalent O(3)Li4Sb2 octahedra, and edges with two equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Mn(2), and one Sb(1) atom to form OLi4MnSb octahedra that share  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(5)Li4MnSb octahedra, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(3)Li4Sb2 octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-16°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn3(SbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.422
_cell_length_c   8.338
_cell_angle_alpha   101.554
_cell_angle_beta   108.661
_cell_angle_gamma   100.408
_symmetry_Int_Tables_number   1
_cell_volume   217.551
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.115  0.759  0.601  1.0
  Li  Li2  1  0.885  0.241  0.399  1.0
  Li  Li3  1  0.708  0.622  0.225  1.0
  Li  Li4  1  0.292  0.378  0.775  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.105  0.310  0.107  1.0
  Mn  Mn7  1  0.895  0.690  0.893  1.0
  O  O8  1  0.914  0.950  0.158  1.0
  O  O9  1  0.086  0.050  0.842  1.0
  O  O10  1  0.306  0.674  0.075  1.0
  O  O11  1  0.694  0.326  0.925  1.0
  O  O12  1  0.669  0.860  0.453  1.0
  O  O13  1  0.331  0.140  0.547  1.0
  O  O14  1  0.515  0.773  0.751  1.0
  O  O15  1  0.485  0.227  0.249  1.0
  O  O16  1  0.096  0.571  0.346  1.0
  O  O17  1  0.904  0.429  0.654  1.0
  Sb  Sb18  1  0.286  0.902  0.303  1.0
  Sb  Sb19  1  0.714  0.098  0.697  1.0
[/CIF]
.
The compound described by Li5Mn3(SbO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form OLi2Mn3Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(5)Li4MnSb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(1)Li2Mn3Sb octahedra, edges with two equivalent O(5)Li4MnSb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, and edges with three equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(3), one Mn(1), two equivalent Mn(2), and one Sb(1) atom to form distorted OLiMn3Sb square pyramids that share  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(5)Li4MnSb octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid,  an edgeedge with one O(5)Li4MnSb octahedra,  an edgeedge with one O(3)Li4Sb2 octahedra, edges with two equivalent O(4)Li3Mn2Sb octahedra, edges with three equivalent O(1)Li2Mn3Sb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 4-85°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Sb(1) atoms to form OLi4Sb2 octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra,  a cornercorner with one O(2)LiMn3Sb square pyramid, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(5)Li4MnSb octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Sb(1) atom to form OLi3Mn2Sb octahedra that share  a cornercorner with one O(1)Li2Mn3Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(4)Li3Mn2Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids, edges with three equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(5)Li4MnSb octahedra, edges with three equivalent O(3)Li4Sb2 octahedra, and edges with two equivalent O(2)LiMn3Sb square pyramids. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Mn(2), and one Sb(1) atom to form OLi4MnSb octahedra that share  a cornercorner with one O(4)Li3Mn2Sb octahedra,  a cornercorner with one O(5)Li4MnSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Mn3Sb octahedra, corners with two equivalent O(2)LiMn3Sb square pyramids,  an edgeedge with one O(5)Li4MnSb octahedra, edges with two equivalent O(1)Li2Mn3Sb octahedra, edges with three equivalent O(4)Li3Mn2Sb octahedra, edges with four equivalent O(3)Li4Sb2 octahedra, and  an edgeedge with one O(2)LiMn3Sb square pyramid. The corner-sharing octahedral tilt angles range from 0-16°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn3(SbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.422
_cell_length_c   8.338
_cell_angle_alpha   101.554
_cell_angle_beta   108.661
_cell_angle_gamma   100.408
_symmetry_Int_Tables_number   1
_cell_volume   217.551
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.115  0.759  0.601  1.0
  Li  Li2  1  0.885  0.241  0.399  1.0
  Li  Li3  1  0.708  0.622  0.225  1.0
  Li  Li4  1  0.292  0.378  0.775  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.105  0.310  0.107  1.0
  Mn  Mn7  1  0.895  0.690  0.893  1.0
  O  O8  1  0.914  0.950  0.158  1.0
  O  O9  1  0.086  0.050  0.842  1.0
  O  O10  1  0.306  0.674  0.075  1.0
  O  O11  1  0.694  0.326  0.925  1.0
  O  O12  1  0.669  0.860  0.453  1.0
  O  O13  1  0.331  0.140  0.547  1.0
  O  O14  1  0.515  0.773  0.751  1.0
  O  O15  1  0.485  0.227  0.249  1.0
  O  O16  1  0.096  0.571  0.346  1.0
  O  O17  1  0.904  0.429  0.654  1.0
  Sb  Sb18  1  0.286  0.902  0.303  1.0
  Sb  Sb19  1  0.714  0.098  0.697  1.0
[/CIF]
.