The material described by KLa2NbO6 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(4) and four equivalent O(1) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second La site, La(2) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LaO7 hexagonal pyramids that share corners with three equivalent Nb(1)O5 trigonal bipyramids,  an edgeedge with one La(2)O7 hexagonal pyramid, and  an edgeedge with one Nb(1)O5 trigonal bipyramid. Nb(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NbO5 trigonal bipyramids that share corners with three equivalent La(2)O7 hexagonal pyramids and  an edgeedge with one La(2)O7 hexagonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one La(1), one La(2), and one Nb(1) atom. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form OLa4 tetrahedra that share corners with eight equivalent O(3)La3Nb tetrahedra, edges with two equivalent O(3)La3Nb tetrahedra, and edges with two equivalent O(2)La4 tetrahedra. In the third O site, O(3) is bonded to one La(2), two equivalent La(1), and one Nb(1) atom to form distorted OLa3Nb tetrahedra that share corners with two equivalent O(3)La3Nb tetrahedra, corners with four equivalent O(2)La4 tetrahedra,  an edgeedge with one O(2)La4 tetrahedra, and edges with three equivalent O(3)La3Nb tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent K(1), one La(2), and one Nb(1) atom. is represented by the CIF card [CIF]
data_KLa2NbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.051
_cell_length_c   8.971
_cell_angle_alpha   75.502
_cell_angle_beta   75.502
_cell_angle_gamma   48.828
_symmetry_Int_Tables_number   1
_cell_volume   322.819
_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  0.885  0.885  0.481  1.0
  K  K1  1  0.115  0.115  0.519  1.0
  La  La2  1  0.870  0.870  0.928  1.0
  La  La3  1  0.130  0.130  0.072  1.0
  La  La4  1  0.412  0.412  0.205  1.0
  La  La5  1  0.588  0.588  0.795  1.0
  Nb  Nb6  1  0.659  0.659  0.297  1.0
  Nb  Nb7  1  0.341  0.341  0.703  1.0
  O  O8  1  0.683  0.220  0.708  1.0
  O  O9  1  0.780  0.317  0.292  1.0
  O  O10  1  0.748  0.252  0.000  1.0
  O  O11  1  0.531  0.996  0.168  1.0
  O  O12  1  0.317  0.780  0.292  1.0
  O  O13  1  0.469  0.004  0.832  1.0
  O  O14  1  0.004  0.469  0.832  1.0
  O  O15  1  0.323  0.323  0.504  1.0
  O  O16  1  0.677  0.677  0.496  1.0
  O  O17  1  0.252  0.748  0.000  1.0
  O  O18  1  0.996  0.531  0.168  1.0
  O  O19  1  0.220  0.683  0.708  1.0
[/CIF]
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The material described by KLa2NbO6 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(4) and four equivalent O(1) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second La site, La(2) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LaO7 hexagonal pyramids that share corners with three equivalent Nb(1)O5 trigonal bipyramids,  an edgeedge with one La(2)O7 hexagonal pyramid, and  an edgeedge with one Nb(1)O5 trigonal bipyramid. Nb(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NbO5 trigonal bipyramids that share corners with three equivalent La(2)O7 hexagonal pyramids and  an edgeedge with one La(2)O7 hexagonal pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one La(1), one La(2), and one Nb(1) atom. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form OLa4 tetrahedra that share corners with eight equivalent O(3)La3Nb tetrahedra, edges with two equivalent O(3)La3Nb tetrahedra, and edges with two equivalent O(2)La4 tetrahedra. In the third O site, O(3) is bonded to one La(2), two equivalent La(1), and one Nb(1) atom to form distorted OLa3Nb tetrahedra that share corners with two equivalent O(3)La3Nb tetrahedra, corners with four equivalent O(2)La4 tetrahedra,  an edgeedge with one O(2)La4 tetrahedra, and edges with three equivalent O(3)La3Nb tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent K(1), one La(2), and one Nb(1) atom. is represented by the CIF card [CIF]
data_KLa2NbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.051
_cell_length_c   8.971
_cell_angle_alpha   75.502
_cell_angle_beta   75.502
_cell_angle_gamma   48.828
_symmetry_Int_Tables_number   1
_cell_volume   322.819
_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  0.885  0.885  0.481  1.0
  K  K1  1  0.115  0.115  0.519  1.0
  La  La2  1  0.870  0.870  0.928  1.0
  La  La3  1  0.130  0.130  0.072  1.0
  La  La4  1  0.412  0.412  0.205  1.0
  La  La5  1  0.588  0.588  0.795  1.0
  Nb  Nb6  1  0.659  0.659  0.297  1.0
  Nb  Nb7  1  0.341  0.341  0.703  1.0
  O  O8  1  0.683  0.220  0.708  1.0
  O  O9  1  0.780  0.317  0.292  1.0
  O  O10  1  0.748  0.252  0.000  1.0
  O  O11  1  0.531  0.996  0.168  1.0
  O  O12  1  0.317  0.780  0.292  1.0
  O  O13  1  0.469  0.004  0.832  1.0
  O  O14  1  0.004  0.469  0.832  1.0
  O  O15  1  0.323  0.323  0.504  1.0
  O  O16  1  0.677  0.677  0.496  1.0
  O  O17  1  0.252  0.748  0.000  1.0
  O  O18  1  0.996  0.531  0.168  1.0
  O  O19  1  0.220  0.683  0.708  1.0
[/CIF]
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