The material described by KLi4NbO5 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to one Li(1), two equivalent O(2), two equivalent O(5), and three equivalent O(4) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one K(1), one O(1), one O(2), one O(5), and two equivalent O(3) atoms to form distorted LiKO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with four equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Li(1)KO5 square pyramid,  an edgeedge with one Li(3)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)KO5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Li(1)KO5 square pyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(1)KO5 square pyramid, and  an edgeedge with one Li(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form LiO4 trigonal pyramids that share corners with four equivalent Li(1)KO5 square pyramids,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)KO5 square pyramid,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(4), two equivalent Li(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), one Li(2), one Li(3), and one Nb(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(4), and one Nb(1) atom to form distorted edge-sharing OLi5Nb octahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent K(1), two equivalent Li(3), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), one Li(3), one Li(4), and one Nb(1) atom. is represented by the CIF file [CIF]
data_KLi4NbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.868
_cell_length_b   5.990
_cell_length_c   8.336
_cell_angle_alpha   88.405
_cell_angle_beta   100.960
_cell_angle_gamma   119.151
_symmetry_Int_Tables_number   1
_cell_volume   250.499
_cell_formula_units_Z   2
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
  K  K0  1  0.615  0.762  0.416  1.0
  K  K1  1  0.385  0.238  0.584  1.0
  Li  Li2  1  0.340  0.001  0.880  1.0
  Li  Li3  1  0.660  0.999  0.120  1.0
  Li  Li4  1  0.597  0.391  0.087  1.0
  Li  Li5  1  0.883  0.332  0.388  1.0
  Li  Li6  1  0.091  0.396  0.105  1.0
  Li  Li7  1  0.403  0.609  0.913  1.0
  Li  Li8  1  0.117  0.668  0.612  1.0
  Li  Li9  1  0.909  0.604  0.895  1.0
  Nb  Nb10  1  0.142  0.937  0.198  1.0
  Nb  Nb11  1  0.858  0.063  0.802  1.0
  O  O12  1  0.780  0.765  0.032  1.0
  O  O13  1  0.519  0.183  0.277  1.0
  O  O14  1  0.220  0.235  0.968  1.0
  O  O15  1  0.260  0.756  0.052  1.0
  O  O16  1  0.481  0.817  0.723  1.0
  O  O17  1  0.928  0.294  0.635  1.0
  O  O18  1  0.022  0.160  0.280  1.0
  O  O19  1  0.740  0.244  0.948  1.0
  O  O20  1  0.072  0.706  0.365  1.0
  O  O21  1  0.978  0.840  0.720  1.0
[/CIF]
.
The material described by KLi4NbO5 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to one Li(1), two equivalent O(2), two equivalent O(5), and three equivalent O(4) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one K(1), one O(1), one O(2), one O(5), and two equivalent O(3) atoms to form distorted LiKO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with four equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Li(1)KO5 square pyramid,  an edgeedge with one Li(3)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)KO5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Li(1)KO5 square pyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Li(1)KO5 square pyramid, and  an edgeedge with one Li(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form LiO4 trigonal pyramids that share corners with four equivalent Li(1)KO5 square pyramids,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)KO5 square pyramid,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(4), two equivalent Li(2), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), one Li(2), one Li(3), and one Nb(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(4), and one Nb(1) atom to form distorted edge-sharing OLi5Nb octahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent K(1), two equivalent Li(3), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), one Li(3), one Li(4), and one Nb(1) atom. is represented by the CIF file [CIF]
data_KLi4NbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.868
_cell_length_b   5.990
_cell_length_c   8.336
_cell_angle_alpha   88.405
_cell_angle_beta   100.960
_cell_angle_gamma   119.151
_symmetry_Int_Tables_number   1
_cell_volume   250.499
_cell_formula_units_Z   2
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
  K  K0  1  0.615  0.762  0.416  1.0
  K  K1  1  0.385  0.238  0.584  1.0
  Li  Li2  1  0.340  0.001  0.880  1.0
  Li  Li3  1  0.660  0.999  0.120  1.0
  Li  Li4  1  0.597  0.391  0.087  1.0
  Li  Li5  1  0.883  0.332  0.388  1.0
  Li  Li6  1  0.091  0.396  0.105  1.0
  Li  Li7  1  0.403  0.609  0.913  1.0
  Li  Li8  1  0.117  0.668  0.612  1.0
  Li  Li9  1  0.909  0.604  0.895  1.0
  Nb  Nb10  1  0.142  0.937  0.198  1.0
  Nb  Nb11  1  0.858  0.063  0.802  1.0
  O  O12  1  0.780  0.765  0.032  1.0
  O  O13  1  0.519  0.183  0.277  1.0
  O  O14  1  0.220  0.235  0.968  1.0
  O  O15  1  0.260  0.756  0.052  1.0
  O  O16  1  0.481  0.817  0.723  1.0
  O  O17  1  0.928  0.294  0.635  1.0
  O  O18  1  0.022  0.160  0.280  1.0
  O  O19  1  0.740  0.244  0.948  1.0
  O  O20  1  0.072  0.706  0.365  1.0
  O  O21  1  0.978  0.840  0.720  1.0
[/CIF]
.