The compound described by Sr5In2Sb6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent In(1), one Sb(2), two equivalent Sb(1), and four equivalent Sb(3) atoms. In the third Sr site, Sr(3) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one In(1) atom to form a mixture of distorted edge, corner, and face-sharing SbSr6In pentagonal bipyramids. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent In(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one In(1), and one Sb(3) atom. is represented by the CIF card [CIF]
data_Sr5(InSb3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.711
_cell_length_b   12.809
_cell_length_c   14.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   898.521
_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
  Sr  Sr0  1  0.500  0.088  0.750  1.0
  Sr  Sr1  1  0.500  0.174  0.017  1.0
  Sr  Sr2  1  0.500  0.412  0.250  1.0
  Sr  Sr3  1  0.500  0.826  0.983  1.0
  Sr  Sr4  1  0.500  0.326  0.517  1.0
  Sr  Sr5  1  0.500  0.000  0.500  1.0
  Sr  Sr6  1  0.500  0.588  0.750  1.0
  Sr  Sr7  1  0.500  0.912  0.250  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  Sr  Sr9  1  0.500  0.674  0.483  1.0
  In  In10  1  0.000  0.330  0.713  1.0
  In  In11  1  0.000  0.170  0.213  1.0
  In  In12  1  0.000  0.670  0.287  1.0
  In  In13  1  0.000  0.830  0.787  1.0
  Sb  Sb14  1  0.000  0.654  0.905  1.0
  Sb  Sb15  1  0.500  0.663  0.176  1.0
  Sb  Sb16  1  0.000  0.023  0.905  1.0
  Sb  Sb17  1  0.000  0.477  0.405  1.0
  Sb  Sb18  1  0.500  0.337  0.824  1.0
  Sb  Sb19  1  0.500  0.163  0.324  1.0
  Sb  Sb20  1  0.000  0.346  0.095  1.0
  Sb  Sb21  1  0.000  0.154  0.595  1.0
  Sb  Sb22  1  0.000  0.977  0.095  1.0
  Sb  Sb23  1  0.500  0.837  0.676  1.0
  Sb  Sb24  1  0.000  0.523  0.595  1.0
  Sb  Sb25  1  0.000  0.846  0.405  1.0
[/CIF]
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The compound described by Sr5In2Sb6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent In(1), one Sb(2), two equivalent Sb(1), and four equivalent Sb(3) atoms. In the third Sr site, Sr(3) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one In(1) atom to form a mixture of distorted edge, corner, and face-sharing SbSr6In pentagonal bipyramids. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent In(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one In(1), and one Sb(3) atom. is represented by the CIF card [CIF]
data_Sr5(InSb3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.711
_cell_length_b   12.809
_cell_length_c   14.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   898.521
_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
  Sr  Sr0  1  0.500  0.088  0.750  1.0
  Sr  Sr1  1  0.500  0.174  0.017  1.0
  Sr  Sr2  1  0.500  0.412  0.250  1.0
  Sr  Sr3  1  0.500  0.826  0.983  1.0
  Sr  Sr4  1  0.500  0.326  0.517  1.0
  Sr  Sr5  1  0.500  0.000  0.500  1.0
  Sr  Sr6  1  0.500  0.588  0.750  1.0
  Sr  Sr7  1  0.500  0.912  0.250  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  Sr  Sr9  1  0.500  0.674  0.483  1.0
  In  In10  1  0.000  0.330  0.713  1.0
  In  In11  1  0.000  0.170  0.213  1.0
  In  In12  1  0.000  0.670  0.287  1.0
  In  In13  1  0.000  0.830  0.787  1.0
  Sb  Sb14  1  0.000  0.654  0.905  1.0
  Sb  Sb15  1  0.500  0.663  0.176  1.0
  Sb  Sb16  1  0.000  0.023  0.905  1.0
  Sb  Sb17  1  0.000  0.477  0.405  1.0
  Sb  Sb18  1  0.500  0.337  0.824  1.0
  Sb  Sb19  1  0.500  0.163  0.324  1.0
  Sb  Sb20  1  0.000  0.346  0.095  1.0
  Sb  Sb21  1  0.000  0.154  0.595  1.0
  Sb  Sb22  1  0.000  0.977  0.095  1.0
  Sb  Sb23  1  0.500  0.837  0.676  1.0
  Sb  Sb24  1  0.000  0.523  0.595  1.0
  Sb  Sb25  1  0.000  0.846  0.405  1.0
[/CIF]
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