The compound described by Sr2(AgAl)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), four equivalent Al(1), and eight equivalent Al(2) atoms. In the second Sr site, Sr(2) is bonded in a 18-coordinate geometry to two equivalent Ag(2), four equivalent Ag(1), four equivalent Ag(3), and eight equivalent Al(2) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one Sr(1), two equivalent Sr(2), two equivalent Ag(3), and four equivalent Al(2) atoms. In the second Ag site, Ag(2) is bonded in a 9-coordinate geometry to one Sr(2), two equivalent Sr(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the third Ag site, Ag(3) is bonded to four equivalent Sr(2), four equivalent Ag(1), and four equivalent Al(2) atoms to form AgSr4Al4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Sr4Al4Ag4 cuboctahedra, corners with four equivalent Al(1)Sr4Al4Ag4 cuboctahedra, edges with two equivalent Ag(3)Sr4Al4Ag4 cuboctahedra, and faces with two equivalent Ag(3)Sr4Al4Ag4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Sr(1), four equivalent Ag(2), and four equivalent Al(2) atoms to form distorted AlSr4Al4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Sr4Al4Ag4 cuboctahedra, corners with four equivalent Al(1)Sr4Al4Ag4 cuboctahedra, edges with two equivalent Al(1)Sr4Al4Ag4 cuboctahedra, and faces with two equivalent Al(1)Sr4Al4Ag4 cuboctahedra. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ag(3), two equivalent Ag(1), two equivalent Ag(2), one Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Sr2(AlAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.449
_cell_length_b   5.543
_cell_length_c   9.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.288
_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  0.000  0.500  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.753  0.252  1.0
  Al  Al4  1  0.500  0.247  0.748  1.0
  Al  Al5  1  0.500  0.247  0.252  1.0
  Al  Al6  1  0.500  0.753  0.748  1.0
  Ag  Ag7  1  0.000  0.500  0.319  1.0
  Ag  Ag8  1  0.000  0.000  0.832  1.0
  Ag  Ag9  1  0.000  0.000  0.168  1.0
  Ag  Ag10  1  0.000  0.500  0.681  1.0
  Ag  Ag11  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Sr2(AgAl)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), four equivalent Al(1), and eight equivalent Al(2) atoms. In the second Sr site, Sr(2) is bonded in a 18-coordinate geometry to two equivalent Ag(2), four equivalent Ag(1), four equivalent Ag(3), and eight equivalent Al(2) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one Sr(1), two equivalent Sr(2), two equivalent Ag(3), and four equivalent Al(2) atoms. In the second Ag site, Ag(2) is bonded in a 9-coordinate geometry to one Sr(2), two equivalent Sr(1), two equivalent Al(1), and four equivalent Al(2) atoms. In the third Ag site, Ag(3) is bonded to four equivalent Sr(2), four equivalent Ag(1), and four equivalent Al(2) atoms to form AgSr4Al4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Sr4Al4Ag4 cuboctahedra, corners with four equivalent Al(1)Sr4Al4Ag4 cuboctahedra, edges with two equivalent Ag(3)Sr4Al4Ag4 cuboctahedra, and faces with two equivalent Ag(3)Sr4Al4Ag4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Sr(1), four equivalent Ag(2), and four equivalent Al(2) atoms to form distorted AlSr4Al4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Sr4Al4Ag4 cuboctahedra, corners with four equivalent Al(1)Sr4Al4Ag4 cuboctahedra, edges with two equivalent Al(1)Sr4Al4Ag4 cuboctahedra, and faces with two equivalent Al(1)Sr4Al4Ag4 cuboctahedra. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ag(3), two equivalent Ag(1), two equivalent Ag(2), one Al(1), and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Sr2(AlAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.449
_cell_length_b   5.543
_cell_length_c   9.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.288
_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  0.000  0.500  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.753  0.252  1.0
  Al  Al4  1  0.500  0.247  0.748  1.0
  Al  Al5  1  0.500  0.247  0.252  1.0
  Al  Al6  1  0.500  0.753  0.748  1.0
  Ag  Ag7  1  0.000  0.500  0.319  1.0
  Ag  Ag8  1  0.000  0.000  0.832  1.0
  Ag  Ag9  1  0.000  0.000  0.168  1.0
  Ag  Ag10  1  0.000  0.500  0.681  1.0
  Ag  Ag11  1  0.500  0.500  0.500  1.0
[/CIF]
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