The compound described by K2LiNd4Nb2O12 crystallizes in the triclinic P1 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(10), one O(2), one O(4), one O(5), one O(7), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(9), and two equivalent O(10) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Nd site, Nd(3) is bonded in a distorted hexagonal pyramidal geometry to one O(1), one O(10), one O(12), one O(3), one O(4), one O(6), and one O(7) atom. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(7), and one O(9) atom. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(2), one Nd(4), and one Nb(2) atom. In the third O site, O(3) is bonded to one Li(1), one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom to form a mixture of distorted face and edge-sharing OLiNd4 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(1), one Nd(3), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(2), one Nd(4), and one Nb(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom to form a mixture of distorted face and edge-sharing OLiNd4 trigonal bipyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(1), one Nd(3), and one Nb(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Nd(1), one Nd(2), one Nd(4), and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Nd(2), and one Nb(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Nd(3), and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Li(1), one Nd(1), one Nd(2), one Nd(4), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), and one Nb(1) atom. is represented by the CIF file [CIF]
data_K2LiNd4Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.764
_cell_length_b   7.058
_cell_length_c   9.021
_cell_angle_alpha   105.860
_cell_angle_beta   90.019
_cell_angle_gamma   114.006
_symmetry_Int_Tables_number   1
_cell_volume   319.875
_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
  K  K0  1  0.116  0.233  0.491  1.0
  K  K1  1  0.883  0.767  0.510  1.0
  Li  Li2  1  0.664  0.320  0.007  1.0
  Nd  Nd3  1  0.132  0.263  0.923  1.0
  Nd  Nd4  1  0.573  0.149  0.226  1.0
  Nd  Nd5  1  0.413  0.825  0.796  1.0
  Nd  Nd6  1  0.885  0.771  0.069  1.0
  Nb  Nb7  1  0.660  0.320  0.698  1.0
  Nb  Nb8  1  0.331  0.660  0.287  1.0
  O  O9  1  0.999  0.533  0.837  1.0
  O  O10  1  0.212  0.897  0.288  1.0
  O  O11  1  0.266  0.014  0.002  1.0
  O  O12  1  0.778  0.094  0.713  1.0
  O  O13  1  0.684  0.897  0.287  1.0
  O  O14  1  0.748  0.016  0.002  1.0
  O  O15  1  0.317  0.095  0.713  1.0
  O  O16  1  0.986  0.465  0.150  1.0
  O  O17  1  0.676  0.352  0.498  1.0
  O  O18  1  0.319  0.638  0.489  1.0
  O  O19  1  0.480  0.464  0.149  1.0
  O  O20  1  0.533  0.533  0.836  1.0
[/CIF]
.
The compound described by K2LiNd4Nb2O12 crystallizes in the triclinic P1 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(10), one O(2), one O(4), one O(5), one O(7), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(9), and two equivalent O(10) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Nd site, Nd(3) is bonded in a distorted hexagonal pyramidal geometry to one O(1), one O(10), one O(12), one O(3), one O(4), one O(6), and one O(7) atom. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(7), and one O(9) atom. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(2), one Nd(4), and one Nb(2) atom. In the third O site, O(3) is bonded to one Li(1), one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom to form a mixture of distorted face and edge-sharing OLiNd4 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(1), one Nd(3), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(2), one Nd(4), and one Nb(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom to form a mixture of distorted face and edge-sharing OLiNd4 trigonal bipyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Nd(1), one Nd(3), and one Nb(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Nd(1), one Nd(2), one Nd(4), and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(1), one Nd(2), and one Nb(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Nd(3), and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Li(1), one Nd(1), one Nd(2), one Nd(4), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), and one Nb(1) atom. is represented by the CIF file [CIF]
data_K2LiNd4Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.764
_cell_length_b   7.058
_cell_length_c   9.021
_cell_angle_alpha   105.860
_cell_angle_beta   90.019
_cell_angle_gamma   114.006
_symmetry_Int_Tables_number   1
_cell_volume   319.875
_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
  K  K0  1  0.116  0.233  0.491  1.0
  K  K1  1  0.883  0.767  0.510  1.0
  Li  Li2  1  0.664  0.320  0.007  1.0
  Nd  Nd3  1  0.132  0.263  0.923  1.0
  Nd  Nd4  1  0.573  0.149  0.226  1.0
  Nd  Nd5  1  0.413  0.825  0.796  1.0
  Nd  Nd6  1  0.885  0.771  0.069  1.0
  Nb  Nb7  1  0.660  0.320  0.698  1.0
  Nb  Nb8  1  0.331  0.660  0.287  1.0
  O  O9  1  0.999  0.533  0.837  1.0
  O  O10  1  0.212  0.897  0.288  1.0
  O  O11  1  0.266  0.014  0.002  1.0
  O  O12  1  0.778  0.094  0.713  1.0
  O  O13  1  0.684  0.897  0.287  1.0
  O  O14  1  0.748  0.016  0.002  1.0
  O  O15  1  0.317  0.095  0.713  1.0
  O  O16  1  0.986  0.465  0.150  1.0
  O  O17  1  0.676  0.352  0.498  1.0
  O  O18  1  0.319  0.638  0.489  1.0
  O  O19  1  0.480  0.464  0.149  1.0
  O  O20  1  0.533  0.533  0.836  1.0
[/CIF]
.