The compound described by Li13Nb2Mn3O16 crystallizes in the monoclinic Cm space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(2), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-75°. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(11), two equivalent O(1), and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(5), one O(6), and one O(7) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(2), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the fifth Li site, Li(5) is bonded to one O(12), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the seventh Li site, Li(7) is bonded to one O(10), one O(9), two equivalent O(1), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Nb(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the eighth Li site, Li(8) is bonded to one O(3), one O(8), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(3), and one O(6) atom. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(8)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Nb site, Nb(2) is bonded to one O(2), one O(9), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-47°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded to one O(11), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(5), one Li(7), one Li(9), one Nb(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), two equivalent Li(6), and one Nb(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(8), two equivalent Li(3), two equivalent Li(9), and one Nb(1) atom. In the fourth O site, O(4) is bonded to one Li(10), one Li(5), one Li(6), one Li(7), one Nb(2), and one Mn(1) atom to form OLi4MnNb octahedra that share  a cornercorner with one O(12)Li3Mn2 trigonal bipyramid, edges with two equivalent O(9)Li3Mn2Nb octahedra, edges with two equivalent O(4)Li4MnNb octahedra,  an edgeedge with one O(10)Li3Mn2Nb pentagonal pyramid, and  an edgeedge with one O(12)Li3Mn2 trigonal bipyramid. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(6), one Nb(2), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(8), one Li(9), one Nb(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(10), two equivalent Li(3), two equivalent Li(6), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded to one Li(7), two equivalent Li(6), one Nb(2), and two equivalent Mn(1) atoms to form OLi3Mn2Nb octahedra that share corners with three equivalent O(10)Li3Mn2Nb pentagonal pyramids, corners with two equivalent O(12)Li3Mn2 trigonal bipyramids, and edges with four equivalent O(4)Li4MnNb octahedra. In the tenth O site, O(10) is bonded to one Li(7), two equivalent Li(9), one Nb(1), and two equivalent Mn(1) atoms to form distorted OLi3Mn2Nb pentagonal pyramids that share corners with three equivalent O(9)Li3Mn2Nb octahedra, edges with two equivalent O(4)Li4MnNb octahedra, and  an edgeedge with one O(12)Li3Mn2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-13°. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(3), two equivalent Li(9), and one Mn(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(10), one Li(5), and two equivalent Mn(1) atoms to form distorted OLi3Mn2 trigonal bipyramids that share corners with two equivalent O(9)Li3Mn2Nb octahedra, corners with two equivalent O(4)Li4MnNb octahedra, edges with two equivalent O(4)Li4MnNb octahedra, and  an edgeedge with one O(10)Li3Mn2Nb pentagonal pyramid. The corner-sharing octahedral tilt angles range from 74-88°. is represented by the CIF file [CIF]
data_Li13Mn3Nb2O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.025
_cell_length_b   6.025
_cell_length_c   9.998
_cell_angle_alpha   88.953
_cell_angle_beta   88.953
_cell_angle_gamma   60.707
_symmetry_Int_Tables_number   1
_cell_volume   316.424
_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  0.003  0.003  0.017  1.0
  Li  Li1  1  0.123  0.123  0.502  1.0
  Li  Li2  1  0.740  0.346  0.226  1.0
  Li  Li3  1  0.163  0.163  0.256  1.0
  Li  Li4  1  0.173  0.173  0.743  1.0
  Li  Li5  1  0.825  0.416  0.975  1.0
  Li  Li6  1  0.346  0.740  0.226  1.0
  Li  Li7  1  0.416  0.825  0.975  1.0
  Li  Li8  1  0.669  0.669  0.751  1.0
  Li  Li9  1  0.325  0.325  0.402  1.0
  Li  Li10  1  0.714  0.120  0.457  1.0
  Li  Li11  1  0.120  0.714  0.457  1.0
  Li  Li12  1  0.818  0.818  0.943  1.0
  Mn  Mn13  1  0.662  0.168  0.720  1.0
  Mn  Mn14  1  0.168  0.662  0.720  1.0
  Mn  Mn15  1  0.820  0.820  0.220  1.0
  Nb  Nb16  1  0.650  0.650  0.481  1.0
  Nb  Nb17  1  0.345  0.345  0.991  1.0
  O  O18  1  0.807  0.335  0.599  1.0
  O  O19  1  0.172  0.172  0.066  1.0
  O  O20  1  0.497  0.497  0.368  1.0
  O  O21  1  0.504  0.032  0.849  1.0
  O  O22  1  0.335  0.807  0.599  1.0
  O  O23  1  0.664  0.158  0.088  1.0
  O  O24  1  0.973  0.490  0.361  1.0
  O  O25  1  0.673  0.673  0.113  1.0
  O  O26  1  0.341  0.341  0.621  1.0
  O  O27  1  0.032  0.504  0.849  1.0
  O  O28  1  0.490  0.973  0.361  1.0
  O  O29  1  0.158  0.664  0.088  1.0
  O  O30  1  0.505  0.505  0.866  1.0
  O  O31  1  0.815  0.815  0.588  1.0
  O  O32  1  0.982  0.982  0.319  1.0
  O  O33  1  0.984  0.984  0.820  1.0
[/CIF]
.
The compound described by Li13Nb2Mn3O16 crystallizes in the monoclinic Cm space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(2), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-75°. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(11), two equivalent O(1), and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(5), one O(6), and one O(7) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(2), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the fifth Li site, Li(5) is bonded to one O(12), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the seventh Li site, Li(7) is bonded to one O(10), one O(9), two equivalent O(1), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Nb(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the eighth Li site, Li(8) is bonded to one O(3), one O(8), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-61°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(3), and one O(6) atom. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(8)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Nb site, Nb(2) is bonded to one O(2), one O(9), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-47°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded to one O(11), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(5), one Li(7), one Li(9), one Nb(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(4), two equivalent Li(6), and one Nb(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(8), two equivalent Li(3), two equivalent Li(9), and one Nb(1) atom. In the fourth O site, O(4) is bonded to one Li(10), one Li(5), one Li(6), one Li(7), one Nb(2), and one Mn(1) atom to form OLi4MnNb octahedra that share  a cornercorner with one O(12)Li3Mn2 trigonal bipyramid, edges with two equivalent O(9)Li3Mn2Nb octahedra, edges with two equivalent O(4)Li4MnNb octahedra,  an edgeedge with one O(10)Li3Mn2Nb pentagonal pyramid, and  an edgeedge with one O(12)Li3Mn2 trigonal bipyramid. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(6), one Nb(2), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(8), one Li(9), one Nb(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(10), two equivalent Li(3), two equivalent Li(6), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded to one Li(7), two equivalent Li(6), one Nb(2), and two equivalent Mn(1) atoms to form OLi3Mn2Nb octahedra that share corners with three equivalent O(10)Li3Mn2Nb pentagonal pyramids, corners with two equivalent O(12)Li3Mn2 trigonal bipyramids, and edges with four equivalent O(4)Li4MnNb octahedra. In the tenth O site, O(10) is bonded to one Li(7), two equivalent Li(9), one Nb(1), and two equivalent Mn(1) atoms to form distorted OLi3Mn2Nb pentagonal pyramids that share corners with three equivalent O(9)Li3Mn2Nb octahedra, edges with two equivalent O(4)Li4MnNb octahedra, and  an edgeedge with one O(12)Li3Mn2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-13°. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(3), two equivalent Li(9), and one Mn(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(10), one Li(5), and two equivalent Mn(1) atoms to form distorted OLi3Mn2 trigonal bipyramids that share corners with two equivalent O(9)Li3Mn2Nb octahedra, corners with two equivalent O(4)Li4MnNb octahedra, edges with two equivalent O(4)Li4MnNb octahedra, and  an edgeedge with one O(10)Li3Mn2Nb pentagonal pyramid. The corner-sharing octahedral tilt angles range from 74-88°. is represented by the CIF file [CIF]
data_Li13Mn3Nb2O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.025
_cell_length_b   6.025
_cell_length_c   9.998
_cell_angle_alpha   88.953
_cell_angle_beta   88.953
_cell_angle_gamma   60.707
_symmetry_Int_Tables_number   1
_cell_volume   316.424
_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  0.003  0.003  0.017  1.0
  Li  Li1  1  0.123  0.123  0.502  1.0
  Li  Li2  1  0.740  0.346  0.226  1.0
  Li  Li3  1  0.163  0.163  0.256  1.0
  Li  Li4  1  0.173  0.173  0.743  1.0
  Li  Li5  1  0.825  0.416  0.975  1.0
  Li  Li6  1  0.346  0.740  0.226  1.0
  Li  Li7  1  0.416  0.825  0.975  1.0
  Li  Li8  1  0.669  0.669  0.751  1.0
  Li  Li9  1  0.325  0.325  0.402  1.0
  Li  Li10  1  0.714  0.120  0.457  1.0
  Li  Li11  1  0.120  0.714  0.457  1.0
  Li  Li12  1  0.818  0.818  0.943  1.0
  Mn  Mn13  1  0.662  0.168  0.720  1.0
  Mn  Mn14  1  0.168  0.662  0.720  1.0
  Mn  Mn15  1  0.820  0.820  0.220  1.0
  Nb  Nb16  1  0.650  0.650  0.481  1.0
  Nb  Nb17  1  0.345  0.345  0.991  1.0
  O  O18  1  0.807  0.335  0.599  1.0
  O  O19  1  0.172  0.172  0.066  1.0
  O  O20  1  0.497  0.497  0.368  1.0
  O  O21  1  0.504  0.032  0.849  1.0
  O  O22  1  0.335  0.807  0.599  1.0
  O  O23  1  0.664  0.158  0.088  1.0
  O  O24  1  0.973  0.490  0.361  1.0
  O  O25  1  0.673  0.673  0.113  1.0
  O  O26  1  0.341  0.341  0.621  1.0
  O  O27  1  0.032  0.504  0.849  1.0
  O  O28  1  0.490  0.973  0.361  1.0
  O  O29  1  0.158  0.664  0.088  1.0
  O  O30  1  0.505  0.505  0.866  1.0
  O  O31  1  0.815  0.815  0.588  1.0
  O  O32  1  0.982  0.982  0.319  1.0
  O  O33  1  0.984  0.984  0.820  1.0
[/CIF]
.