The material described by Cr6AlSi crystallizes in the cubic Pm-3 space group. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Al(1), and two equivalent Si(1) atoms. Al(1) is bonded to twelve equivalent Cr(1) atoms to form AlCr12 cuboctahedra that share edges with six equivalent Al(1)Cr12 cuboctahedra and faces with eight equivalent Si(1)Cr12 cuboctahedra. Si(1) is bonded to twelve equivalent Cr(1) atoms to form SiCr12 cuboctahedra that share edges with six equivalent Si(1)Cr12 cuboctahedra and faces with eight equivalent Al(1)Cr12 cuboctahedra. is represented by the CIF card [CIF]
data_AlCr6Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.522
_cell_length_b   4.522
_cell_length_c   4.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.447
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.755  1.0
  Cr  Cr2  1  0.500  0.245  0.000  1.0
  Cr  Cr3  1  0.755  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.500  0.245  1.0
  Cr  Cr5  1  0.500  0.755  0.000  1.0
  Cr  Cr6  1  0.245  0.000  0.500  1.0
  Si  Si7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Cr6AlSi crystallizes in the cubic Pm-3 space group. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Al(1), and two equivalent Si(1) atoms. Al(1) is bonded to twelve equivalent Cr(1) atoms to form AlCr12 cuboctahedra that share edges with six equivalent Al(1)Cr12 cuboctahedra and faces with eight equivalent Si(1)Cr12 cuboctahedra. Si(1) is bonded to twelve equivalent Cr(1) atoms to form SiCr12 cuboctahedra that share edges with six equivalent Si(1)Cr12 cuboctahedra and faces with eight equivalent Al(1)Cr12 cuboctahedra. is represented by the CIF card [CIF]
data_AlCr6Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.522
_cell_length_b   4.522
_cell_length_c   4.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.447
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.755  1.0
  Cr  Cr2  1  0.500  0.245  0.000  1.0
  Cr  Cr3  1  0.755  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.500  0.245  1.0
  Cr  Cr5  1  0.500  0.755  0.000  1.0
  Cr  Cr6  1  0.245  0.000  0.500  1.0
  Si  Si7  1  0.000  0.000  0.000  1.0
[/CIF]
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