The structure described by Mo3Al2Si4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to four equivalent Al(1), one Si(1), one Si(3), and four equivalent Si(2) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. In the third Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. Al(1) is bonded in a 10-coordinate geometry to one Mo(2), four equivalent Mo(1), one Si(3), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); three Mo(2,2); two equivalent Si(2); and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mo(2), four equivalent Mo(1), four equivalent Al(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Mo(1); three Mo(2,2); two equivalent Al(1); and three equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Al2Si4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.722
_cell_length_b   4.722
_cell_length_c   6.582
_cell_angle_alpha   89.903
_cell_angle_beta   90.097
_cell_angle_gamma   59.887
_symmetry_Int_Tables_number   1
_cell_volume   126.956
_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  0.160  0.675  0.171  1.0
  Al  Al1  1  0.675  0.160  0.496  1.0
  Si  Si2  1  0.160  0.160  0.833  1.0
  Si  Si3  1  0.839  0.328  0.166  1.0
  Si  Si4  1  0.328  0.839  0.501  1.0
  Si  Si5  1  0.841  0.841  0.833  1.0
  Mo  Mo6  1  0.497  0.999  0.157  1.0
  Mo  Mo7  1  0.999  0.497  0.509  1.0
  Mo  Mo8  1  0.502  0.502  0.833  1.0
[/CIF]
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The structure described by Mo3Al2Si4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to four equivalent Al(1), one Si(1), one Si(3), and four equivalent Si(2) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. In the third Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(2), three equivalent Si(1), and three equivalent Si(3) atoms. Al(1) is bonded in a 10-coordinate geometry to one Mo(2), four equivalent Mo(1), one Si(3), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1); three Mo(2,2); two equivalent Si(2); and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mo(2), four equivalent Mo(1), four equivalent Al(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Mo(1); three Mo(2,2); two equivalent Al(1); and three equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Al2Si4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.722
_cell_length_b   4.722
_cell_length_c   6.582
_cell_angle_alpha   89.903
_cell_angle_beta   90.097
_cell_angle_gamma   59.887
_symmetry_Int_Tables_number   1
_cell_volume   126.956
_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  0.160  0.675  0.171  1.0
  Al  Al1  1  0.675  0.160  0.496  1.0
  Si  Si2  1  0.160  0.160  0.833  1.0
  Si  Si3  1  0.839  0.328  0.166  1.0
  Si  Si4  1  0.328  0.839  0.501  1.0
  Si  Si5  1  0.841  0.841  0.833  1.0
  Mo  Mo6  1  0.497  0.999  0.157  1.0
  Mo  Mo7  1  0.999  0.497  0.509  1.0
  Mo  Mo8  1  0.502  0.502  0.833  1.0
[/CIF]
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