The material described by K2LiNd4Nb2O12 crystallizes in the monoclinic Cm 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(7), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded to one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Nb(2)O5 trigonal bipyramid, corners with two equivalent Nb(1)O5 trigonal bipyramids, and  an edgeedge with one Nb(1)O5 trigonal bipyramid. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(6), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO5 trigonal bipyramids that share corners with two equivalent Nd(3)O7 pentagonal bipyramids and  an edgeedge with one Nd(3)O7 pentagonal bipyramid. In the second Nb site, Nb(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(5) atoms to form distorted NbO5 trigonal bipyramids that share  a cornercorner with one Nd(3)O7 pentagonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), 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 in a 5-coordinate geometry to one Li(1), one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom. 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 to one Nd(1), one Nd(2), one Nd(4), and one Nb(2) atom to form distorted edge-sharing ONd3Nb tetrahedra. In the sixth O site, O(6) 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 seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Nd(3), and one Nb(2) atom. is represented by the CIF card [CIF]
data_K2LiNd4Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   6.932
_cell_length_c   8.998
_cell_angle_alpha   104.343
_cell_angle_beta   89.985
_cell_angle_gamma   114.651
_symmetry_Int_Tables_number   1
_cell_volume   315.365
_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  0.118  0.237  0.480  1.0
  K  K1  1  0.876  0.753  0.502  1.0
  Li  Li2  1  0.908  0.817  0.827  1.0
  Nd  Nd3  1  0.145  0.290  0.934  1.0
  Nd  Nd4  1  0.581  0.163  0.187  1.0
  Nd  Nd5  1  0.412  0.824  0.796  1.0
  Nd  Nd6  1  0.867  0.734  0.093  1.0
  Nb  Nb7  1  0.653  0.307  0.698  1.0
  Nb  Nb8  1  0.342  0.684  0.294  1.0
  O  O9  1  0.998  0.546  0.817  1.0
  O  O10  1  0.218  0.909  0.291  1.0
  O  O11  1  0.231  0.993  0.990  1.0
  O  O12  1  0.789  0.093  0.708  1.0
  O  O13  1  0.690  0.909  0.291  1.0
  O  O14  1  0.762  0.993  0.990  1.0
  O  O15  1  0.304  0.093  0.708  1.0
  O  O16  1  0.995  0.467  0.174  1.0
  O  O17  1  0.667  0.334  0.496  1.0
  O  O18  1  0.329  0.657  0.497  1.0
  O  O19  1  0.472  0.467  0.174  1.0
  O  O20  1  0.548  0.546  0.817  1.0
[/CIF]
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The material described by K2LiNd4Nb2O12 crystallizes in the monoclinic Cm 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(7), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded to one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Nb(2)O5 trigonal bipyramid, corners with two equivalent Nb(1)O5 trigonal bipyramids, and  an edgeedge with one Nb(1)O5 trigonal bipyramid. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(6), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO5 trigonal bipyramids that share corners with two equivalent Nd(3)O7 pentagonal bipyramids and  an edgeedge with one Nd(3)O7 pentagonal bipyramid. In the second Nb site, Nb(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(5) atoms to form distorted NbO5 trigonal bipyramids that share  a cornercorner with one Nd(3)O7 pentagonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), 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 in a 5-coordinate geometry to one Li(1), one Nd(1), one Nd(2), one Nd(3), and one Nd(4) atom. 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 to one Nd(1), one Nd(2), one Nd(4), and one Nb(2) atom to form distorted edge-sharing ONd3Nb tetrahedra. In the sixth O site, O(6) 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 seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Nd(3), and one Nb(2) atom. is represented by the CIF card [CIF]
data_K2LiNd4Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   6.932
_cell_length_c   8.998
_cell_angle_alpha   104.343
_cell_angle_beta   89.985
_cell_angle_gamma   114.651
_symmetry_Int_Tables_number   1
_cell_volume   315.365
_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  0.118  0.237  0.480  1.0
  K  K1  1  0.876  0.753  0.502  1.0
  Li  Li2  1  0.908  0.817  0.827  1.0
  Nd  Nd3  1  0.145  0.290  0.934  1.0
  Nd  Nd4  1  0.581  0.163  0.187  1.0
  Nd  Nd5  1  0.412  0.824  0.796  1.0
  Nd  Nd6  1  0.867  0.734  0.093  1.0
  Nb  Nb7  1  0.653  0.307  0.698  1.0
  Nb  Nb8  1  0.342  0.684  0.294  1.0
  O  O9  1  0.998  0.546  0.817  1.0
  O  O10  1  0.218  0.909  0.291  1.0
  O  O11  1  0.231  0.993  0.990  1.0
  O  O12  1  0.789  0.093  0.708  1.0
  O  O13  1  0.690  0.909  0.291  1.0
  O  O14  1  0.762  0.993  0.990  1.0
  O  O15  1  0.304  0.093  0.708  1.0
  O  O16  1  0.995  0.467  0.174  1.0
  O  O17  1  0.667  0.334  0.496  1.0
  O  O18  1  0.329  0.657  0.497  1.0
  O  O19  1  0.472  0.467  0.174  1.0
  O  O20  1  0.548  0.546  0.817  1.0
[/CIF]
.