The structure described by Ba2(AgAl)5 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 15-coordinate geometry to one Ag(3), four equivalent Ag(1), four equivalent Ag(2), two equivalent Al(2), and four equivalent Al(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent Ag(3), four equivalent Ag(1), four equivalent Ag(2), and one Al(2) atom. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 11-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ag(3), two equivalent Ag(2), and four equivalent Al(1) atoms. In the second Ag site, Ag(2) is bonded in a 11-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ag(1), one Al(2), and four equivalent Al(1) atoms. In the third Ag site, Ag(3) is bonded in a 11-coordinate geometry to one Ba(1), two equivalent Ba(2), two equivalent Ag(1), two equivalent Al(2), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ag(3), two equivalent Ag(1), two equivalent Ag(2), and one Al(2) atom. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Ba(2), two equivalent Ba(1), two equivalent Ag(2), two equivalent Ag(3), and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Ba2(AlAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.051
_cell_length_c   5.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.883
_symmetry_Int_Tables_number   1
_cell_volume   265.972
_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
  Ba  Ba0  1  0.837  0.837  0.000  1.0
  Ba  Ba1  1  0.178  0.178  0.500  1.0
  Al  Al2  1  0.291  0.697  0.250  1.0
  Al  Al3  1  0.291  0.697  0.750  1.0
  Al  Al4  1  0.697  0.291  0.250  1.0
  Al  Al5  1  0.697  0.291  0.750  1.0
  Al  Al6  1  0.584  0.584  0.500  1.0
  Ag  Ag7  1  0.422  0.021  0.000  1.0
  Ag  Ag8  1  0.963  0.579  0.500  1.0
  Ag  Ag9  1  0.579  0.963  0.500  1.0
  Ag  Ag10  1  0.021  0.422  0.000  1.0
  Ag  Ag11  1  0.440  0.440  0.000  1.0
[/CIF]
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The structure described by Ba2(AgAl)5 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 15-coordinate geometry to one Ag(3), four equivalent Ag(1), four equivalent Ag(2), two equivalent Al(2), and four equivalent Al(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent Ag(3), four equivalent Ag(1), four equivalent Ag(2), and one Al(2) atom. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 11-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ag(3), two equivalent Ag(2), and four equivalent Al(1) atoms. In the second Ag site, Ag(2) is bonded in a 11-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ag(1), one Al(2), and four equivalent Al(1) atoms. In the third Ag site, Ag(3) is bonded in a 11-coordinate geometry to one Ba(1), two equivalent Ba(2), two equivalent Ag(1), two equivalent Al(2), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ag(3), two equivalent Ag(1), two equivalent Ag(2), and one Al(2) atom. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Ba(2), two equivalent Ba(1), two equivalent Ag(2), two equivalent Ag(3), and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Ba2(AlAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.051
_cell_length_b   7.051
_cell_length_c   5.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.883
_symmetry_Int_Tables_number   1
_cell_volume   265.972
_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
  Ba  Ba0  1  0.837  0.837  0.000  1.0
  Ba  Ba1  1  0.178  0.178  0.500  1.0
  Al  Al2  1  0.291  0.697  0.250  1.0
  Al  Al3  1  0.291  0.697  0.750  1.0
  Al  Al4  1  0.697  0.291  0.250  1.0
  Al  Al5  1  0.697  0.291  0.750  1.0
  Al  Al6  1  0.584  0.584  0.500  1.0
  Ag  Ag7  1  0.422  0.021  0.000  1.0
  Ag  Ag8  1  0.963  0.579  0.500  1.0
  Ag  Ag9  1  0.579  0.963  0.500  1.0
  Ag  Ag10  1  0.021  0.422  0.000  1.0
  Ag  Ag11  1  0.440  0.440  0.000  1.0
[/CIF]
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