The material structure described by Sr5Al9 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent Al(2) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to four equivalent Al(2) and six equivalent Al(3) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to three equivalent Al(1) and nine equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent Sr(3) and six equivalent Al(3) atoms to form edge-sharing AlSr6Al6 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to three equivalent Sr(1), four equivalent Sr(2), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to two equivalent Sr(2), three equivalent Sr(3), one Al(1), one Al(2), and four equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_Sr5Al9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.346
_cell_length_b   12.346
_cell_length_c   12.346
_cell_angle_alpha   27.427
_cell_angle_beta   27.427
_cell_angle_gamma   27.427
_symmetry_Int_Tables_number   1
_cell_volume   352.397
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.217  0.217  0.217  1.0
  Sr  Sr2  1  0.783  0.783  0.783  1.0
  Sr  Sr3  1  0.317  0.317  0.317  1.0
  Sr  Sr4  1  0.683  0.683  0.683  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  Al  Al6  1  0.124  0.124  0.124  1.0
  Al  Al7  1  0.876  0.876  0.876  1.0
  Al  Al8  1  0.726  0.236  0.236  1.0
  Al  Al9  1  0.236  0.236  0.726  1.0
  Al  Al10  1  0.236  0.726  0.236  1.0
  Al  Al11  1  0.764  0.274  0.764  1.0
  Al  Al12  1  0.274  0.764  0.764  1.0
  Al  Al13  1  0.764  0.764  0.274  1.0
[/CIF]
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The material structure described by Sr5Al9 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent Al(2) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to four equivalent Al(2) and six equivalent Al(3) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to three equivalent Al(1) and nine equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent Sr(3) and six equivalent Al(3) atoms to form edge-sharing AlSr6Al6 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to three equivalent Sr(1), four equivalent Sr(2), and three equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to two equivalent Sr(2), three equivalent Sr(3), one Al(1), one Al(2), and four equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_Sr5Al9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.346
_cell_length_b   12.346
_cell_length_c   12.346
_cell_angle_alpha   27.427
_cell_angle_beta   27.427
_cell_angle_gamma   27.427
_symmetry_Int_Tables_number   1
_cell_volume   352.397
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.217  0.217  0.217  1.0
  Sr  Sr2  1  0.783  0.783  0.783  1.0
  Sr  Sr3  1  0.317  0.317  0.317  1.0
  Sr  Sr4  1  0.683  0.683  0.683  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  Al  Al6  1  0.124  0.124  0.124  1.0
  Al  Al7  1  0.876  0.876  0.876  1.0
  Al  Al8  1  0.726  0.236  0.236  1.0
  Al  Al9  1  0.236  0.236  0.726  1.0
  Al  Al10  1  0.236  0.726  0.236  1.0
  Al  Al11  1  0.764  0.274  0.764  1.0
  Al  Al12  1  0.274  0.764  0.764  1.0
  Al  Al13  1  0.764  0.764  0.274  1.0
[/CIF]
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