The compound described by Sr5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms. In the second Sr site, Sr(2) is bonded to one Pb(2), two equivalent Pb(3), and four equivalent Pb(1) atoms to form distorted SrPb7 pentagonal bipyramids that share corners with four equivalent Sr(3)Pb6 octahedra, corners with six equivalent Sr(2)Pb7 pentagonal bipyramids, edges with two equivalent Sr(2)Pb7 pentagonal bipyramids, faces with two equivalent Sr(3)Pb6 octahedra, and faces with three equivalent Sr(2)Pb7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-51°. In the third Sr site, Sr(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form distorted SrPb6 octahedra that share corners with four equivalent Sr(3)Pb6 octahedra, corners with eight equivalent Sr(2)Pb7 pentagonal bipyramids, and faces with four equivalent Sr(2)Pb7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-56°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), four equivalent Sr(2), and one Pb(2) atom. In the second Pb site, Pb(1) is bonded in a 9-coordinate geometry to one Sr(3), three equivalent Sr(1), four equivalent Sr(2), and one Pb(1) atom. In the third Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), four equivalent Sr(1), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.616
_cell_length_b   9.026
_cell_length_c   17.708
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1377.129
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.657  0.176  0.624  1.0
  Sr  Sr1  1  0.157  0.324  0.876  1.0
  Sr  Sr2  1  0.343  0.824  0.124  1.0
  Sr  Sr3  1  0.843  0.676  0.376  1.0
  Sr  Sr4  1  0.343  0.824  0.376  1.0
  Sr  Sr5  1  0.843  0.676  0.124  1.0
  Sr  Sr6  1  0.657  0.176  0.876  1.0
  Sr  Sr7  1  0.157  0.324  0.624  1.0
  Sr  Sr8  1  0.496  0.678  0.597  1.0
  Sr  Sr9  1  0.996  0.822  0.903  1.0
  Sr  Sr10  1  0.504  0.322  0.097  1.0
  Sr  Sr11  1  0.004  0.178  0.403  1.0
  Sr  Sr12  1  0.504  0.322  0.403  1.0
  Sr  Sr13  1  0.004  0.178  0.097  1.0
  Sr  Sr14  1  0.496  0.678  0.903  1.0
  Sr  Sr15  1  0.996  0.822  0.597  1.0
  Sr  Sr16  1  0.827  0.505  0.750  1.0
  Sr  Sr17  1  0.327  0.995  0.750  1.0
  Sr  Sr18  1  0.173  0.495  0.250  1.0
  Sr  Sr19  1  0.673  0.005  0.250  1.0
  Pb  Pb20  1  0.672  0.975  0.462  1.0
  Pb  Pb21  1  0.172  0.525  0.038  1.0
  Pb  Pb22  1  0.328  0.025  0.962  1.0
  Pb  Pb23  1  0.828  0.475  0.538  1.0
  Pb  Pb24  1  0.328  0.025  0.538  1.0
  Pb  Pb25  1  0.828  0.475  0.962  1.0
  Pb  Pb26  1  0.672  0.975  0.038  1.0
  Pb  Pb27  1  0.172  0.525  0.462  1.0
  Pb  Pb28  1  0.454  0.393  0.750  1.0
  Pb  Pb29  1  0.954  0.107  0.750  1.0
  Pb  Pb30  1  0.546  0.607  0.250  1.0
  Pb  Pb31  1  0.046  0.893  0.250  1.0
  Pb  Pb32  1  0.702  0.864  0.750  1.0
  Pb  Pb33  1  0.202  0.636  0.750  1.0
  Pb  Pb34  1  0.298  0.136  0.250  1.0
  Pb  Pb35  1  0.798  0.364  0.250  1.0
[/CIF]
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The compound described by Sr5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms. In the second Sr site, Sr(2) is bonded to one Pb(2), two equivalent Pb(3), and four equivalent Pb(1) atoms to form distorted SrPb7 pentagonal bipyramids that share corners with four equivalent Sr(3)Pb6 octahedra, corners with six equivalent Sr(2)Pb7 pentagonal bipyramids, edges with two equivalent Sr(2)Pb7 pentagonal bipyramids, faces with two equivalent Sr(3)Pb6 octahedra, and faces with three equivalent Sr(2)Pb7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-51°. In the third Sr site, Sr(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form distorted SrPb6 octahedra that share corners with four equivalent Sr(3)Pb6 octahedra, corners with eight equivalent Sr(2)Pb7 pentagonal bipyramids, and faces with four equivalent Sr(2)Pb7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-56°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), four equivalent Sr(2), and one Pb(2) atom. In the second Pb site, Pb(1) is bonded in a 9-coordinate geometry to one Sr(3), three equivalent Sr(1), four equivalent Sr(2), and one Pb(1) atom. In the third Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), four equivalent Sr(1), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.616
_cell_length_b   9.026
_cell_length_c   17.708
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1377.129
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.657  0.176  0.624  1.0
  Sr  Sr1  1  0.157  0.324  0.876  1.0
  Sr  Sr2  1  0.343  0.824  0.124  1.0
  Sr  Sr3  1  0.843  0.676  0.376  1.0
  Sr  Sr4  1  0.343  0.824  0.376  1.0
  Sr  Sr5  1  0.843  0.676  0.124  1.0
  Sr  Sr6  1  0.657  0.176  0.876  1.0
  Sr  Sr7  1  0.157  0.324  0.624  1.0
  Sr  Sr8  1  0.496  0.678  0.597  1.0
  Sr  Sr9  1  0.996  0.822  0.903  1.0
  Sr  Sr10  1  0.504  0.322  0.097  1.0
  Sr  Sr11  1  0.004  0.178  0.403  1.0
  Sr  Sr12  1  0.504  0.322  0.403  1.0
  Sr  Sr13  1  0.004  0.178  0.097  1.0
  Sr  Sr14  1  0.496  0.678  0.903  1.0
  Sr  Sr15  1  0.996  0.822  0.597  1.0
  Sr  Sr16  1  0.827  0.505  0.750  1.0
  Sr  Sr17  1  0.327  0.995  0.750  1.0
  Sr  Sr18  1  0.173  0.495  0.250  1.0
  Sr  Sr19  1  0.673  0.005  0.250  1.0
  Pb  Pb20  1  0.672  0.975  0.462  1.0
  Pb  Pb21  1  0.172  0.525  0.038  1.0
  Pb  Pb22  1  0.328  0.025  0.962  1.0
  Pb  Pb23  1  0.828  0.475  0.538  1.0
  Pb  Pb24  1  0.328  0.025  0.538  1.0
  Pb  Pb25  1  0.828  0.475  0.962  1.0
  Pb  Pb26  1  0.672  0.975  0.038  1.0
  Pb  Pb27  1  0.172  0.525  0.462  1.0
  Pb  Pb28  1  0.454  0.393  0.750  1.0
  Pb  Pb29  1  0.954  0.107  0.750  1.0
  Pb  Pb30  1  0.546  0.607  0.250  1.0
  Pb  Pb31  1  0.046  0.893  0.250  1.0
  Pb  Pb32  1  0.702  0.864  0.750  1.0
  Pb  Pb33  1  0.202  0.636  0.750  1.0
  Pb  Pb34  1  0.298  0.136  0.250  1.0
  Pb  Pb35  1  0.798  0.364  0.250  1.0
[/CIF]
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