The material described by LiPbP3O9 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(9) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Pb(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1), one Pb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiP3PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.868
_cell_length_b   7.362
_cell_length_c   7.530
_cell_angle_alpha   83.640
_cell_angle_beta   79.481
_cell_angle_gamma   82.005
_symmetry_Int_Tables_number   1
_cell_volume   369.260
_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
  Li  Li0  1  0.458  0.827  0.830  1.0
  Li  Li1  1  0.542  0.173  0.170  1.0
  P  P2  1  0.415  0.385  0.782  1.0
  P  P3  1  0.849  0.282  0.771  1.0
  P  P4  1  0.233  0.157  0.560  1.0
  P  P5  1  0.585  0.615  0.218  1.0
  P  P6  1  0.767  0.843  0.440  1.0
  P  P7  1  0.151  0.718  0.229  1.0
  Pb  Pb8  1  0.975  0.769  0.848  1.0
  Pb  Pb9  1  0.025  0.231  0.152  1.0
  O  O10  1  0.358  0.588  0.795  1.0
  O  O11  1  0.678  0.670  0.384  1.0
  O  O12  1  0.008  0.773  0.416  1.0
  O  O13  1  0.375  0.252  0.948  1.0
  O  O14  1  0.992  0.227  0.584  1.0
  O  O15  1  0.175  0.884  0.093  1.0
  O  O16  1  0.625  0.748  0.052  1.0
  O  O17  1  0.707  0.850  0.641  1.0
  O  O18  1  0.350  0.649  0.309  1.0
  O  O19  1  0.322  0.330  0.616  1.0
  O  O20  1  0.650  0.351  0.691  1.0
  O  O21  1  0.735  0.010  0.312  1.0
  O  O22  1  0.265  0.990  0.688  1.0
  O  O23  1  0.930  0.435  0.840  1.0
  O  O24  1  0.642  0.412  0.205  1.0
  O  O25  1  0.825  0.116  0.907  1.0
  O  O26  1  0.070  0.565  0.160  1.0
  O  O27  1  0.293  0.150  0.359  1.0
[/CIF]
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The material described by LiPbP3O9 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(9) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Pb(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1), one Pb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiP3PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.868
_cell_length_b   7.362
_cell_length_c   7.530
_cell_angle_alpha   83.640
_cell_angle_beta   79.481
_cell_angle_gamma   82.005
_symmetry_Int_Tables_number   1
_cell_volume   369.260
_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
  Li  Li0  1  0.458  0.827  0.830  1.0
  Li  Li1  1  0.542  0.173  0.170  1.0
  P  P2  1  0.415  0.385  0.782  1.0
  P  P3  1  0.849  0.282  0.771  1.0
  P  P4  1  0.233  0.157  0.560  1.0
  P  P5  1  0.585  0.615  0.218  1.0
  P  P6  1  0.767  0.843  0.440  1.0
  P  P7  1  0.151  0.718  0.229  1.0
  Pb  Pb8  1  0.975  0.769  0.848  1.0
  Pb  Pb9  1  0.025  0.231  0.152  1.0
  O  O10  1  0.358  0.588  0.795  1.0
  O  O11  1  0.678  0.670  0.384  1.0
  O  O12  1  0.008  0.773  0.416  1.0
  O  O13  1  0.375  0.252  0.948  1.0
  O  O14  1  0.992  0.227  0.584  1.0
  O  O15  1  0.175  0.884  0.093  1.0
  O  O16  1  0.625  0.748  0.052  1.0
  O  O17  1  0.707  0.850  0.641  1.0
  O  O18  1  0.350  0.649  0.309  1.0
  O  O19  1  0.322  0.330  0.616  1.0
  O  O20  1  0.650  0.351  0.691  1.0
  O  O21  1  0.735  0.010  0.312  1.0
  O  O22  1  0.265  0.990  0.688  1.0
  O  O23  1  0.930  0.435  0.840  1.0
  O  O24  1  0.642  0.412  0.205  1.0
  O  O25  1  0.825  0.116  0.907  1.0
  O  O26  1  0.070  0.565  0.160  1.0
  O  O27  1  0.293  0.150  0.359  1.0
[/CIF]
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