The material described by Sr21In8Pb7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to three equivalent In(1) and three equivalent Pb(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent In(1), one Pb(2), and two equivalent Pb(1) atoms to form distorted SrIn2Pb3 trigonal bipyramids that share corners with two equivalent Sr(3)Pb6 octahedra, corners with five equivalent Sr(2)In2Pb3 trigonal bipyramids, edges with two equivalent Sr(2)In2Pb3 trigonal bipyramids, and faces with four equivalent Sr(2)In2Pb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. In the third Sr site, Sr(3) is bonded to six equivalent Pb(1) atoms to form corner-sharing SrPb6 octahedra. In(1) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and three equivalent In(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to one Sr(3), four equivalent Sr(1), and four equivalent Sr(2) atoms. In the second Pb site, Pb(2) is bonded in a cuboctahedral geometry to twelve equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr21In8Pb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.515
_cell_length_b   12.515
_cell_length_c   12.515
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1386.074
_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
  Sr  Sr0  1  0.117  0.628  0.628  1.0
  Sr  Sr1  1  0.000  0.682  0.000  1.0
  Sr  Sr2  1  0.318  0.682  0.000  1.0
  Sr  Sr3  1  0.628  0.628  0.628  1.0
  Sr  Sr4  1  0.372  0.372  0.372  1.0
  Sr  Sr5  1  0.000  0.000  0.318  1.0
  Sr  Sr6  1  0.883  0.372  0.372  1.0
  Sr  Sr7  1  0.682  0.318  0.000  1.0
  Sr  Sr8  1  0.318  0.000  0.682  1.0
  Sr  Sr9  1  0.682  0.000  0.000  1.0
  Sr  Sr10  1  0.000  0.682  0.318  1.0
  Sr  Sr11  1  0.372  0.372  0.883  1.0
  Sr  Sr12  1  0.372  0.883  0.372  1.0
  Sr  Sr13  1  0.318  0.000  0.000  1.0
  Sr  Sr14  1  0.000  0.318  0.000  1.0
  Sr  Sr15  1  0.500  0.500  0.500  1.0
  Sr  Sr16  1  0.628  0.117  0.628  1.0
  Sr  Sr17  1  0.000  0.318  0.682  1.0
  Sr  Sr18  1  0.682  0.000  0.318  1.0
  Sr  Sr19  1  0.628  0.628  0.117  1.0
  Sr  Sr20  1  0.000  0.000  0.682  1.0
  In  In21  1  0.811  0.567  0.811  1.0
  In  In22  1  0.811  0.811  0.811  1.0
  In  In23  1  0.189  0.189  0.433  1.0
  In  In24  1  0.811  0.811  0.567  1.0
  In  In25  1  0.189  0.189  0.189  1.0
  In  In26  1  0.433  0.189  0.189  1.0
  In  In27  1  0.567  0.811  0.811  1.0
  In  In28  1  0.189  0.433  0.189  1.0
  Pb  Pb29  1  0.713  0.713  0.287  1.0
  Pb  Pb30  1  0.713  0.287  0.713  1.0
  Pb  Pb31  1  0.287  0.713  0.287  1.0
  Pb  Pb32  1  0.287  0.713  0.713  1.0
  Pb  Pb33  1  0.287  0.287  0.713  1.0
  Pb  Pb34  1  0.713  0.287  0.287  1.0
  Pb  Pb35  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Sr21In8Pb7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to three equivalent In(1) and three equivalent Pb(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent In(1), one Pb(2), and two equivalent Pb(1) atoms to form distorted SrIn2Pb3 trigonal bipyramids that share corners with two equivalent Sr(3)Pb6 octahedra, corners with five equivalent Sr(2)In2Pb3 trigonal bipyramids, edges with two equivalent Sr(2)In2Pb3 trigonal bipyramids, and faces with four equivalent Sr(2)In2Pb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. In the third Sr site, Sr(3) is bonded to six equivalent Pb(1) atoms to form corner-sharing SrPb6 octahedra. In(1) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and three equivalent In(1) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to one Sr(3), four equivalent Sr(1), and four equivalent Sr(2) atoms. In the second Pb site, Pb(2) is bonded in a cuboctahedral geometry to twelve equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr21In8Pb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.515
_cell_length_b   12.515
_cell_length_c   12.515
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1386.074
_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
  Sr  Sr0  1  0.117  0.628  0.628  1.0
  Sr  Sr1  1  0.000  0.682  0.000  1.0
  Sr  Sr2  1  0.318  0.682  0.000  1.0
  Sr  Sr3  1  0.628  0.628  0.628  1.0
  Sr  Sr4  1  0.372  0.372  0.372  1.0
  Sr  Sr5  1  0.000  0.000  0.318  1.0
  Sr  Sr6  1  0.883  0.372  0.372  1.0
  Sr  Sr7  1  0.682  0.318  0.000  1.0
  Sr  Sr8  1  0.318  0.000  0.682  1.0
  Sr  Sr9  1  0.682  0.000  0.000  1.0
  Sr  Sr10  1  0.000  0.682  0.318  1.0
  Sr  Sr11  1  0.372  0.372  0.883  1.0
  Sr  Sr12  1  0.372  0.883  0.372  1.0
  Sr  Sr13  1  0.318  0.000  0.000  1.0
  Sr  Sr14  1  0.000  0.318  0.000  1.0
  Sr  Sr15  1  0.500  0.500  0.500  1.0
  Sr  Sr16  1  0.628  0.117  0.628  1.0
  Sr  Sr17  1  0.000  0.318  0.682  1.0
  Sr  Sr18  1  0.682  0.000  0.318  1.0
  Sr  Sr19  1  0.628  0.628  0.117  1.0
  Sr  Sr20  1  0.000  0.000  0.682  1.0
  In  In21  1  0.811  0.567  0.811  1.0
  In  In22  1  0.811  0.811  0.811  1.0
  In  In23  1  0.189  0.189  0.433  1.0
  In  In24  1  0.811  0.811  0.567  1.0
  In  In25  1  0.189  0.189  0.189  1.0
  In  In26  1  0.433  0.189  0.189  1.0
  In  In27  1  0.567  0.811  0.811  1.0
  In  In28  1  0.189  0.433  0.189  1.0
  Pb  Pb29  1  0.713  0.713  0.287  1.0
  Pb  Pb30  1  0.713  0.287  0.713  1.0
  Pb  Pb31  1  0.287  0.713  0.287  1.0
  Pb  Pb32  1  0.287  0.713  0.713  1.0
  Pb  Pb33  1  0.287  0.287  0.713  1.0
  Pb  Pb34  1  0.713  0.287  0.287  1.0
  Pb  Pb35  1  0.000  0.000  0.000  1.0
[/CIF]
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