The compound described by Li4Nb3Mn5O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third Mn site, Mn(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Nb(2), one Mn(2), and one Mn(4) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra, corners with two equivalent O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(4)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(5)LiMnNb2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid, corners with two equivalent O(4)LiMn2Nb trigonal pyramids, corners with two equivalent O(9)LiMn3 trigonal pyramids,  an edgeedge with one O(8)LiMn2Nb tetrahedra, and  an edgeedge with one O(7)LiMn2Nb trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Mn(1), and one Mn(3) atom to form distorted OLiMn2Nb trigonal pyramids that share corners with two equivalent O(8)LiMn2Nb tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid, corners with two equivalent O(7)LiMn2Nb trigonal pyramids,  an edgeedge with one O(16)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(9)LiMn3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Nb(2), one Nb(3), and one Mn(4) atom to form distorted OLiMnNb2 trigonal pyramids that share corners with two equivalent O(11)LiMn2Nb tetrahedra, corners with two equivalent O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, and  an edgeedge with one O(1)LiMn2Nb trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Nb(3), one Mn(2), and one Mn(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(4)LiMn2Nb trigonal pyramids,  an edgeedge with one O(8)LiMn2Nb tetrahedra, and  an edgeedge with one O(2)LiMn3 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Nb(1), one Mn(2), and one Mn(3) atom to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(16)LiMn2Nb trigonal pyramids, corners with two equivalent O(4)LiMn2Nb trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one O(7)LiMn2Nb trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Mn(1), one Mn(3), and one Mn(5) atom to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(8)LiMn2Nb tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid,  a cornercorner with one O(5)LiMnNb2 trigonal pyramid,  an edgeedge with one O(16)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(4)LiMn2Nb trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Nb(3), and one Mn(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Nb(2), one Mn(4), and one Mn(5) atom to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(1)LiMn2Nb trigonal pyramids, corners with two equivalent O(5)LiMnNb2 trigonal pyramids, and  an edgeedge with one O(12)LiMn2Nb tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(3), one Mn(4), and one Mn(5) atom to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(5)LiMnNb2 trigonal pyramids, and  an edgeedge with one O(11)LiMn2Nb tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(1), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(1), one Nb(2), one Nb(3), and one Mn(5) atom. In the sixteenth O site, O(16) is bonded to one Li(2), one Nb(1), one Mn(3), and one Mn(5) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra, corners with two equivalent O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid,  a cornercorner with one O(5)LiMnNb2 trigonal pyramid,  an edgeedge with one O(4)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(9)LiMn3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li4Mn5Nb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   6.156
_cell_length_c   9.964
_cell_angle_alpha   90.334
_cell_angle_beta   90.115
_cell_angle_gamma   119.557
_symmetry_Int_Tables_number   1
_cell_volume   327.509
_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  0.344  0.676  0.895  1.0
  Li  Li1  1  0.003  0.000  0.005  1.0
  Li  Li2  1  0.020  0.006  0.495  1.0
  Li  Li3  1  0.675  0.341  0.376  1.0
  Mn  Mn4  1  0.163  0.829  0.212  1.0
  Mn  Mn5  1  0.310  0.654  0.491  1.0
  Mn  Mn6  1  0.165  0.334  0.216  1.0
  Mn  Mn7  1  0.335  0.168  0.718  1.0
  Mn  Mn8  1  0.651  0.325  0.011  1.0
  Nb  Nb9  1  0.651  0.829  0.219  1.0
  Nb  Nb10  1  0.827  0.660  0.715  1.0
  Nb  Nb11  1  0.828  0.167  0.715  1.0
  O  O12  1  0.146  0.835  0.608  1.0
  O  O13  1  0.043  0.528  0.321  1.0
  O  O14  1  0.358  0.699  0.096  1.0
  O  O15  1  0.984  0.968  0.316  1.0
  O  O16  1  0.974  0.987  0.821  1.0
  O  O17  1  0.144  0.308  0.605  1.0
  O  O18  1  0.492  0.971  0.333  1.0
  O  O19  1  0.479  0.514  0.327  1.0
  O  O20  1  0.302  0.146  0.113  1.0
  O  O21  1  0.683  0.841  0.603  1.0
  O  O22  1  0.530  0.494  0.831  1.0
  O  O23  1  0.534  0.041  0.831  1.0
  O  O24  1  0.697  0.350  0.597  1.0
  O  O25  1  0.838  0.683  0.103  1.0
  O  O26  1  0.977  0.488  0.824  1.0
  O  O27  1  0.847  0.158  0.110  1.0
[/CIF]
.
The compound described by Li4Nb3Mn5O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third Mn site, Mn(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Nb(2), one Mn(2), and one Mn(4) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra, corners with two equivalent O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(4)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(5)LiMnNb2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid, corners with two equivalent O(4)LiMn2Nb trigonal pyramids, corners with two equivalent O(9)LiMn3 trigonal pyramids,  an edgeedge with one O(8)LiMn2Nb tetrahedra, and  an edgeedge with one O(7)LiMn2Nb trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Mn(1), and one Mn(3) atom to form distorted OLiMn2Nb trigonal pyramids that share corners with two equivalent O(8)LiMn2Nb tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid, corners with two equivalent O(7)LiMn2Nb trigonal pyramids,  an edgeedge with one O(16)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(9)LiMn3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Nb(2), one Nb(3), and one Mn(4) atom to form distorted OLiMnNb2 trigonal pyramids that share corners with two equivalent O(11)LiMn2Nb tetrahedra, corners with two equivalent O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, and  an edgeedge with one O(1)LiMn2Nb trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Nb(3), one Mn(2), and one Mn(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(4)LiMn2Nb trigonal pyramids,  an edgeedge with one O(8)LiMn2Nb tetrahedra, and  an edgeedge with one O(2)LiMn3 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Nb(1), one Mn(2), and one Mn(3) atom to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(2)LiMn3 tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(16)LiMn2Nb trigonal pyramids, corners with two equivalent O(4)LiMn2Nb trigonal pyramids,  an edgeedge with one O(2)LiMn3 tetrahedra, and  an edgeedge with one O(7)LiMn2Nb trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Mn(1), one Mn(3), and one Mn(5) atom to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(8)LiMn2Nb tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid,  a cornercorner with one O(5)LiMnNb2 trigonal pyramid,  an edgeedge with one O(16)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(4)LiMn2Nb trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Nb(3), and one Mn(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Nb(2), one Mn(4), and one Mn(5) atom to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(1)LiMn2Nb trigonal pyramids, corners with two equivalent O(5)LiMnNb2 trigonal pyramids, and  an edgeedge with one O(12)LiMn2Nb tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(3), one Mn(4), and one Mn(5) atom to form distorted OLiMn2Nb tetrahedra that share  a cornercorner with one O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(1)LiMn2Nb trigonal pyramid,  a cornercorner with one O(16)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid, corners with two equivalent O(5)LiMnNb2 trigonal pyramids, and  an edgeedge with one O(11)LiMn2Nb tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(1), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(1), one Nb(2), one Nb(3), and one Mn(5) atom. In the sixteenth O site, O(16) is bonded to one Li(2), one Nb(1), one Mn(3), and one Mn(5) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(11)LiMn2Nb tetrahedra,  a cornercorner with one O(12)LiMn2Nb tetrahedra,  a cornercorner with one O(2)LiMn3 tetrahedra, corners with two equivalent O(8)LiMn2Nb tetrahedra,  a cornercorner with one O(7)LiMn2Nb trigonal pyramid,  a cornercorner with one O(9)LiMn3 trigonal pyramid,  a cornercorner with one O(5)LiMnNb2 trigonal pyramid,  an edgeedge with one O(4)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(9)LiMn3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li4Mn5Nb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   6.156
_cell_length_c   9.964
_cell_angle_alpha   90.334
_cell_angle_beta   90.115
_cell_angle_gamma   119.557
_symmetry_Int_Tables_number   1
_cell_volume   327.509
_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  0.344  0.676  0.895  1.0
  Li  Li1  1  0.003  0.000  0.005  1.0
  Li  Li2  1  0.020  0.006  0.495  1.0
  Li  Li3  1  0.675  0.341  0.376  1.0
  Mn  Mn4  1  0.163  0.829  0.212  1.0
  Mn  Mn5  1  0.310  0.654  0.491  1.0
  Mn  Mn6  1  0.165  0.334  0.216  1.0
  Mn  Mn7  1  0.335  0.168  0.718  1.0
  Mn  Mn8  1  0.651  0.325  0.011  1.0
  Nb  Nb9  1  0.651  0.829  0.219  1.0
  Nb  Nb10  1  0.827  0.660  0.715  1.0
  Nb  Nb11  1  0.828  0.167  0.715  1.0
  O  O12  1  0.146  0.835  0.608  1.0
  O  O13  1  0.043  0.528  0.321  1.0
  O  O14  1  0.358  0.699  0.096  1.0
  O  O15  1  0.984  0.968  0.316  1.0
  O  O16  1  0.974  0.987  0.821  1.0
  O  O17  1  0.144  0.308  0.605  1.0
  O  O18  1  0.492  0.971  0.333  1.0
  O  O19  1  0.479  0.514  0.327  1.0
  O  O20  1  0.302  0.146  0.113  1.0
  O  O21  1  0.683  0.841  0.603  1.0
  O  O22  1  0.530  0.494  0.831  1.0
  O  O23  1  0.534  0.041  0.831  1.0
  O  O24  1  0.697  0.350  0.597  1.0
  O  O25  1  0.838  0.683  0.103  1.0
  O  O26  1  0.977  0.488  0.824  1.0
  O  O27  1  0.847  0.158  0.110  1.0
[/CIF]
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