The crystal structure described by Cs4Li(Pb2O3)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. Li(1) is bonded in a single-bond geometry to two equivalent Cs(2), two equivalent Pb(2), and one O(2) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Pb site, Pb(2) is bonded to one Li(1), one O(1), one O(3), and one O(4) atom to form distorted corner-sharing PbLiO3 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), one Pb(1), and one Pb(2) atom to form a mixture of distorted edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cs(2), one Li(1), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Pb(2) atoms to form a mixture of distorted face and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 53-69°. In the fourth O site, O(4) is bonded to two equivalent Cs(1), two equivalent Cs(2), one Pb(1), and one Pb(2) atom to form a mixture of edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 47-69°. is represented by the CIF file [CIF]
data_Cs4Li(Pb2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   8.103
_cell_length_c   8.143
_cell_angle_alpha   111.049
_cell_angle_beta   115.237
_cell_angle_gamma   102.554
_symmetry_Int_Tables_number   1
_cell_volume   407.588
_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
  Cs  Cs0  1  0.978  0.984  0.996  1.0
  Cs  Cs1  1  0.556  0.053  0.509  1.0
  Cs  Cs2  1  0.512  0.516  0.993  1.0
  Cs  Cs3  1  0.956  0.447  0.503  1.0
  Li  Li4  1  0.228  0.750  0.478  1.0
  Pb  Pb5  1  0.526  0.540  0.507  1.0
  Pb  Pb6  1  0.971  0.974  0.509  1.0
  Pb  Pb7  1  0.467  0.960  0.986  1.0
  Pb  Pb8  1  0.036  0.526  0.997  1.0
  O  O9  1  0.747  0.514  0.766  1.0
  O  O10  1  0.752  0.986  0.233  1.0
  O  O11  1  0.436  0.750  0.686  1.0
  O  O12  1  0.014  0.250  0.764  1.0
  O  O13  1  0.746  0.749  0.501  1.0
  O  O14  1  0.251  0.751  0.997  1.0
[/CIF]
.
The crystal structure described by Cs4Li(Pb2O3)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. Li(1) is bonded in a single-bond geometry to two equivalent Cs(2), two equivalent Pb(2), and one O(2) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Pb site, Pb(2) is bonded to one Li(1), one O(1), one O(3), and one O(4) atom to form distorted corner-sharing PbLiO3 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), one Pb(1), and one Pb(2) atom to form a mixture of distorted edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cs(2), one Li(1), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Pb(2) atoms to form a mixture of distorted face and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 53-69°. In the fourth O site, O(4) is bonded to two equivalent Cs(1), two equivalent Cs(2), one Pb(1), and one Pb(2) atom to form a mixture of edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 47-69°. is represented by the CIF file [CIF]
data_Cs4Li(Pb2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.143
_cell_length_b   8.103
_cell_length_c   8.143
_cell_angle_alpha   111.049
_cell_angle_beta   115.237
_cell_angle_gamma   102.554
_symmetry_Int_Tables_number   1
_cell_volume   407.588
_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
  Cs  Cs0  1  0.978  0.984  0.996  1.0
  Cs  Cs1  1  0.556  0.053  0.509  1.0
  Cs  Cs2  1  0.512  0.516  0.993  1.0
  Cs  Cs3  1  0.956  0.447  0.503  1.0
  Li  Li4  1  0.228  0.750  0.478  1.0
  Pb  Pb5  1  0.526  0.540  0.507  1.0
  Pb  Pb6  1  0.971  0.974  0.509  1.0
  Pb  Pb7  1  0.467  0.960  0.986  1.0
  Pb  Pb8  1  0.036  0.526  0.997  1.0
  O  O9  1  0.747  0.514  0.766  1.0
  O  O10  1  0.752  0.986  0.233  1.0
  O  O11  1  0.436  0.750  0.686  1.0
  O  O12  1  0.014  0.250  0.764  1.0
  O  O13  1  0.746  0.749  0.501  1.0
  O  O14  1  0.251  0.751  0.997  1.0
[/CIF]
.