The compound described by KLi3PbO4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with two equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. Pb(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted PbO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(2), one Li(3), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(2), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi3PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.030
_cell_length_c   7.078
_cell_angle_alpha   107.194
_cell_angle_beta   107.942
_cell_angle_gamma   88.167
_symmetry_Int_Tables_number   1
_cell_volume   233.373
_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  0.512  0.987  0.250  1.0
  K  K1  1  0.488  0.013  0.750  1.0
  Li  Li2  1  0.049  0.131  0.909  1.0
  Li  Li3  1  0.951  0.869  0.091  1.0
  Li  Li4  1  0.685  0.462  0.157  1.0
  Li  Li5  1  0.065  0.164  0.446  1.0
  Li  Li6  1  0.935  0.836  0.554  1.0
  Li  Li7  1  0.315  0.538  0.843  1.0
  Pb  Pb8  1  0.755  0.508  0.702  1.0
  Pb  Pb9  1  0.245  0.492  0.298  1.0
  O  O10  1  0.364  0.359  0.563  1.0
  O  O11  1  0.882  0.174  0.636  1.0
  O  O12  1  0.118  0.826  0.364  1.0
  O  O13  1  0.654  0.672  0.968  1.0
  O  O14  1  0.346  0.328  0.032  1.0
  O  O15  1  0.059  0.767  0.831  1.0
  O  O16  1  0.941  0.233  0.169  1.0
  O  O17  1  0.636  0.641  0.437  1.0
[/CIF]
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The compound described by KLi3PbO4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with two equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. Pb(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted PbO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(2), one Li(3), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(2), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLi3PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.030
_cell_length_c   7.078
_cell_angle_alpha   107.194
_cell_angle_beta   107.942
_cell_angle_gamma   88.167
_symmetry_Int_Tables_number   1
_cell_volume   233.373
_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  0.512  0.987  0.250  1.0
  K  K1  1  0.488  0.013  0.750  1.0
  Li  Li2  1  0.049  0.131  0.909  1.0
  Li  Li3  1  0.951  0.869  0.091  1.0
  Li  Li4  1  0.685  0.462  0.157  1.0
  Li  Li5  1  0.065  0.164  0.446  1.0
  Li  Li6  1  0.935  0.836  0.554  1.0
  Li  Li7  1  0.315  0.538  0.843  1.0
  Pb  Pb8  1  0.755  0.508  0.702  1.0
  Pb  Pb9  1  0.245  0.492  0.298  1.0
  O  O10  1  0.364  0.359  0.563  1.0
  O  O11  1  0.882  0.174  0.636  1.0
  O  O12  1  0.118  0.826  0.364  1.0
  O  O13  1  0.654  0.672  0.968  1.0
  O  O14  1  0.346  0.328  0.032  1.0
  O  O15  1  0.059  0.767  0.831  1.0
  O  O16  1  0.941  0.233  0.169  1.0
  O  O17  1  0.636  0.641  0.437  1.0
[/CIF]
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