The material described by Sr5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Si(2) and three equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing SrSi5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), six equivalent Sr(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to eight equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   9.766
_cell_angle_alpha   114.430
_cell_angle_beta   114.430
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.980
_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  0.179  0.040  0.718  1.0
  Sr  Sr1  1  0.040  0.540  0.718  1.0
  Sr  Sr2  1  0.679  0.179  0.718  1.0
  Sr  Sr3  1  0.960  0.460  0.282  1.0
  Sr  Sr4  1  0.540  0.679  0.718  1.0
  Sr  Sr5  1  0.821  0.960  0.282  1.0
  Sr  Sr6  1  0.460  0.321  0.282  1.0
  Sr  Sr7  1  0.321  0.821  0.282  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  Sr  Sr9  1  0.000  0.000  0.000  1.0
  Si  Si10  1  0.607  0.107  0.000  1.0
  Si  Si11  1  0.893  0.607  0.000  1.0
  Si  Si12  1  0.107  0.393  0.000  1.0
  Si  Si13  1  0.393  0.893  0.000  1.0
  Si  Si14  1  0.750  0.750  0.500  1.0
  Si  Si15  1  0.250  0.250  0.500  1.0
[/CIF]
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The material described by Sr5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Si(2) and three equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing SrSi5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), six equivalent Sr(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to eight equivalent Sr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   9.766
_cell_angle_alpha   114.430
_cell_angle_beta   114.430
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.980
_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  0.179  0.040  0.718  1.0
  Sr  Sr1  1  0.040  0.540  0.718  1.0
  Sr  Sr2  1  0.679  0.179  0.718  1.0
  Sr  Sr3  1  0.960  0.460  0.282  1.0
  Sr  Sr4  1  0.540  0.679  0.718  1.0
  Sr  Sr5  1  0.821  0.960  0.282  1.0
  Sr  Sr6  1  0.460  0.321  0.282  1.0
  Sr  Sr7  1  0.321  0.821  0.282  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  Sr  Sr9  1  0.000  0.000  0.000  1.0
  Si  Si10  1  0.607  0.107  0.000  1.0
  Si  Si11  1  0.893  0.607  0.000  1.0
  Si  Si12  1  0.107  0.393  0.000  1.0
  Si  Si13  1  0.393  0.893  0.000  1.0
  Si  Si14  1  0.750  0.750  0.500  1.0
  Si  Si15  1  0.250  0.250  0.500  1.0
[/CIF]
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