The material described by Cr4Al8Si3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to one Al(1), one Al(2), one Al(3), three equivalent Al(4), one Si(1), and three equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to one Al(4), two equivalent Al(1), three equivalent Al(2), three equivalent Al(3), and one Si(2) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to one Cr(1), two equivalent Cr(2), two equivalent Al(2), two equivalent Al(3), and one Si(1) atom. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Cr(1), three equivalent Cr(2), one Al(2), one Al(3), one Al(4), two equivalent Al(1), and one Si(2) atom. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one Cr(1), three equivalent Cr(2), one Al(2), one Al(4), two equivalent Al(1), and one Si(2) atom. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Cr(2), three equivalent Cr(1), one Al(2), one Al(3), one Al(4), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1), two equivalent Al(1), and four equivalent Al(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Cr(2), three equivalent Cr(1), one Al(2), one Al(3), two equivalent Al(4), and one Si(2) atom. is represented by the CIF card [CIF]
data_Al8Cr4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   5.146
_cell_length_c   8.899
_cell_angle_alpha   72.730
_cell_angle_beta   82.908
_cell_angle_gamma   78.619
_symmetry_Int_Tables_number   1
_cell_volume   211.066
_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
  Al  Al0  1  0.055  0.148  0.181  1.0
  Al  Al1  1  0.945  0.852  0.819  1.0
  Al  Al2  1  0.580  0.041  0.123  1.0
  Al  Al3  1  0.420  0.959  0.877  1.0
  Al  Al4  1  0.177  0.645  0.136  1.0
  Al  Al5  1  0.823  0.355  0.864  1.0
  Al  Al6  1  0.495  0.226  0.371  1.0
  Al  Al7  1  0.505  0.774  0.629  1.0
  Cr  Cr8  1  0.324  0.739  0.376  1.0
  Cr  Cr9  1  0.676  0.261  0.624  1.0
  Cr  Cr10  1  0.703  0.549  0.101  1.0
  Cr  Cr11  1  0.297  0.451  0.899  1.0
  Si  Si12  1  0.000  0.000  0.500  1.0
  Si  Si13  1  0.161  0.414  0.626  1.0
  Si  Si14  1  0.839  0.586  0.374  1.0
[/CIF]
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The material described by Cr4Al8Si3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to one Al(1), one Al(2), one Al(3), three equivalent Al(4), one Si(1), and three equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to one Al(4), two equivalent Al(1), three equivalent Al(2), three equivalent Al(3), and one Si(2) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to one Cr(1), two equivalent Cr(2), two equivalent Al(2), two equivalent Al(3), and one Si(1) atom. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Cr(1), three equivalent Cr(2), one Al(2), one Al(3), one Al(4), two equivalent Al(1), and one Si(2) atom. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one Cr(1), three equivalent Cr(2), one Al(2), one Al(4), two equivalent Al(1), and one Si(2) atom. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to one Cr(2), three equivalent Cr(1), one Al(2), one Al(3), one Al(4), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1), two equivalent Al(1), and four equivalent Al(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Cr(2), three equivalent Cr(1), one Al(2), one Al(3), two equivalent Al(4), and one Si(2) atom. is represented by the CIF card [CIF]
data_Al8Cr4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   5.146
_cell_length_c   8.899
_cell_angle_alpha   72.730
_cell_angle_beta   82.908
_cell_angle_gamma   78.619
_symmetry_Int_Tables_number   1
_cell_volume   211.066
_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
  Al  Al0  1  0.055  0.148  0.181  1.0
  Al  Al1  1  0.945  0.852  0.819  1.0
  Al  Al2  1  0.580  0.041  0.123  1.0
  Al  Al3  1  0.420  0.959  0.877  1.0
  Al  Al4  1  0.177  0.645  0.136  1.0
  Al  Al5  1  0.823  0.355  0.864  1.0
  Al  Al6  1  0.495  0.226  0.371  1.0
  Al  Al7  1  0.505  0.774  0.629  1.0
  Cr  Cr8  1  0.324  0.739  0.376  1.0
  Cr  Cr9  1  0.676  0.261  0.624  1.0
  Cr  Cr10  1  0.703  0.549  0.101  1.0
  Cr  Cr11  1  0.297  0.451  0.899  1.0
  Si  Si12  1  0.000  0.000  0.500  1.0
  Si  Si13  1  0.161  0.414  0.626  1.0
  Si  Si14  1  0.839  0.586  0.374  1.0
[/CIF]
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