The compound described by Mo3Cr3AlSi crystallizes in the trigonal R3 space group. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1), two equivalent Al(1), and two equivalent Si(1) atoms. Cr(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Al(1), and two equivalent Si(1) atoms. Al(1) is bonded to six equivalent Mo(1) and six equivalent Cr(1) atoms to form AlCr6Mo6 cuboctahedra that share edges with six equivalent Al(1)Cr6Mo6 cuboctahedra and faces with eight equivalent Si(1)Cr6Mo6 cuboctahedra. Si(1) is bonded to six equivalent Mo(1) and six equivalent Cr(1) atoms to form SiCr6Mo6 cuboctahedra that share edges with six equivalent Si(1)Cr6Mo6 cuboctahedra and faces with eight equivalent Al(1)Cr6Mo6 cuboctahedra. is represented by the CIF card [CIF]
data_AlCr3SiMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.774
_cell_length_b   4.774
_cell_length_c   4.774
_cell_angle_alpha   89.977
_cell_angle_beta   90.023
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   108.822
_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  0.492  0.508  0.508  1.0
  Cr  Cr1  1  0.501  0.752  0.002  1.0
  Cr  Cr2  1  0.248  0.002  0.499  1.0
  Cr  Cr3  1  0.998  0.499  0.752  1.0
  Si  Si4  1  0.007  0.993  0.993  1.0
  Mo  Mo5  1  0.500  0.246  0.001  1.0
  Mo  Mo6  1  0.754  0.001  0.500  1.0
  Mo  Mo7  1  0.999  0.500  0.246  1.0
[/CIF]
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The compound described by Mo3Cr3AlSi crystallizes in the trigonal R3 space group. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1), two equivalent Al(1), and two equivalent Si(1) atoms. Cr(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Al(1), and two equivalent Si(1) atoms. Al(1) is bonded to six equivalent Mo(1) and six equivalent Cr(1) atoms to form AlCr6Mo6 cuboctahedra that share edges with six equivalent Al(1)Cr6Mo6 cuboctahedra and faces with eight equivalent Si(1)Cr6Mo6 cuboctahedra. Si(1) is bonded to six equivalent Mo(1) and six equivalent Cr(1) atoms to form SiCr6Mo6 cuboctahedra that share edges with six equivalent Si(1)Cr6Mo6 cuboctahedra and faces with eight equivalent Al(1)Cr6Mo6 cuboctahedra. is represented by the CIF card [CIF]
data_AlCr3SiMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.774
_cell_length_b   4.774
_cell_length_c   4.774
_cell_angle_alpha   89.977
_cell_angle_beta   90.023
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   108.822
_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  0.492  0.508  0.508  1.0
  Cr  Cr1  1  0.501  0.752  0.002  1.0
  Cr  Cr2  1  0.248  0.002  0.499  1.0
  Cr  Cr3  1  0.998  0.499  0.752  1.0
  Si  Si4  1  0.007  0.993  0.993  1.0
  Mo  Mo5  1  0.500  0.246  0.001  1.0
  Mo  Mo6  1  0.754  0.001  0.500  1.0
  Mo  Mo7  1  0.999  0.500  0.246  1.0
[/CIF]
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