The material described by K2Li3NiO4 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent O(1) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. Ni(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form NiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1), three equivalent K(2), one Li(1), one Li(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Li(1), one Li(2), two equivalent Li(3), and one Ni(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), one Li(1), one Li(2), one Li(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), one Li(1), one Li(2), one Li(3), and one Ni(1) atom. is represented by the CIF file [CIF]
data_K2Li3NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.796
_cell_length_b   5.546
_cell_length_c   10.967
_cell_angle_alpha   68.500
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.716
_cell_formula_units_Z   4
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  0.228  0.720  0.892  1.0
  K  K1  1  0.492  0.708  0.638  1.0
  K  K2  1  0.272  0.720  0.392  1.0
  K  K3  1  0.992  0.292  0.862  1.0
  K  K4  1  0.008  0.708  0.138  1.0
  K  K5  1  0.728  0.280  0.608  1.0
  K  K6  1  0.508  0.292  0.362  1.0
  K  K7  1  0.772  0.280  0.108  1.0
  Li  Li8  1  0.970  0.908  0.701  1.0
  Li  Li9  1  0.737  0.624  0.802  1.0
  Li  Li10  1  0.530  0.908  0.201  1.0
  Li  Li11  1  0.506  0.366  0.933  1.0
  Li  Li12  1  0.006  0.634  0.567  1.0
  Li  Li13  1  0.237  0.376  0.698  1.0
  Li  Li14  1  0.763  0.624  0.302  1.0
  Li  Li15  1  0.994  0.366  0.433  1.0
  Li  Li16  1  0.494  0.634  0.067  1.0
  Li  Li17  1  0.470  0.092  0.799  1.0
  Li  Li18  1  0.263  0.376  0.198  1.0
  Li  Li19  1  0.030  0.092  0.299  1.0
  Ni  Ni20  1  0.714  0.900  0.938  1.0
  Ni  Ni21  1  0.786  0.900  0.438  1.0
  Ni  Ni22  1  0.214  0.100  0.562  1.0
  Ni  Ni23  1  0.286  0.100  0.062  1.0
  O  O24  1  0.892  0.781  0.885  1.0
  O  O25  1  0.552  0.741  0.877  1.0
  O  O26  1  0.811  0.766  0.620  1.0
  O  O27  1  0.176  0.746  0.645  1.0
  O  O28  1  0.608  0.781  0.385  1.0
  O  O29  1  0.948  0.741  0.377  1.0
  O  O30  1  0.676  0.254  0.855  1.0
  O  O31  1  0.311  0.234  0.880  1.0
  O  O32  1  0.689  0.766  0.120  1.0
  O  O33  1  0.324  0.746  0.145  1.0
  O  O34  1  0.052  0.259  0.623  1.0
  O  O35  1  0.392  0.219  0.615  1.0
  O  O36  1  0.824  0.254  0.355  1.0
  O  O37  1  0.189  0.234  0.380  1.0
  O  O38  1  0.448  0.259  0.123  1.0
  O  O39  1  0.108  0.219  0.115  1.0
[/CIF]
.
The material described by K2Li3NiO4 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent O(1) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. Ni(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form NiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1), three equivalent K(2), one Li(1), one Li(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Li(1), one Li(2), two equivalent Li(3), and one Ni(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), one Li(1), one Li(2), one Li(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), one Li(1), one Li(2), one Li(3), and one Ni(1) atom. is represented by the CIF file [CIF]
data_K2Li3NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.796
_cell_length_b   5.546
_cell_length_c   10.967
_cell_angle_alpha   68.500
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.716
_cell_formula_units_Z   4
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  0.228  0.720  0.892  1.0
  K  K1  1  0.492  0.708  0.638  1.0
  K  K2  1  0.272  0.720  0.392  1.0
  K  K3  1  0.992  0.292  0.862  1.0
  K  K4  1  0.008  0.708  0.138  1.0
  K  K5  1  0.728  0.280  0.608  1.0
  K  K6  1  0.508  0.292  0.362  1.0
  K  K7  1  0.772  0.280  0.108  1.0
  Li  Li8  1  0.970  0.908  0.701  1.0
  Li  Li9  1  0.737  0.624  0.802  1.0
  Li  Li10  1  0.530  0.908  0.201  1.0
  Li  Li11  1  0.506  0.366  0.933  1.0
  Li  Li12  1  0.006  0.634  0.567  1.0
  Li  Li13  1  0.237  0.376  0.698  1.0
  Li  Li14  1  0.763  0.624  0.302  1.0
  Li  Li15  1  0.994  0.366  0.433  1.0
  Li  Li16  1  0.494  0.634  0.067  1.0
  Li  Li17  1  0.470  0.092  0.799  1.0
  Li  Li18  1  0.263  0.376  0.198  1.0
  Li  Li19  1  0.030  0.092  0.299  1.0
  Ni  Ni20  1  0.714  0.900  0.938  1.0
  Ni  Ni21  1  0.786  0.900  0.438  1.0
  Ni  Ni22  1  0.214  0.100  0.562  1.0
  Ni  Ni23  1  0.286  0.100  0.062  1.0
  O  O24  1  0.892  0.781  0.885  1.0
  O  O25  1  0.552  0.741  0.877  1.0
  O  O26  1  0.811  0.766  0.620  1.0
  O  O27  1  0.176  0.746  0.645  1.0
  O  O28  1  0.608  0.781  0.385  1.0
  O  O29  1  0.948  0.741  0.377  1.0
  O  O30  1  0.676  0.254  0.855  1.0
  O  O31  1  0.311  0.234  0.880  1.0
  O  O32  1  0.689  0.766  0.120  1.0
  O  O33  1  0.324  0.746  0.145  1.0
  O  O34  1  0.052  0.259  0.623  1.0
  O  O35  1  0.392  0.219  0.615  1.0
  O  O36  1  0.824  0.254  0.355  1.0
  O  O37  1  0.189  0.234  0.380  1.0
  O  O38  1  0.448  0.259  0.123  1.0
  O  O39  1  0.108  0.219  0.115  1.0
[/CIF]
.