The material structure described by Al4Mo3Si2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to two equivalent Al(2), two equivalent Al(4), three equivalent Si(1), and three equivalent Si(3) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Al(2), one Al(3), one Al(4), one Al(5), three equivalent Al(1), and three equivalent Si(2) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Al(1), three equivalent Al(2), three equivalent Al(4), one Si(1), one Si(2), and one Si(3) atom. In the fourth Mo site, Mo(4) is bonded in a distorted q6 geometry to two equivalent Al(1), three equivalent Al(3), three equivalent Al(5), and two equivalent Si(2) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), three equivalent Mo(2), one Al(4), one Al(5), and three equivalent Si(2) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(2), three equivalent Mo(3), three equivalent Al(4), one Si(1), and one Si(2) atom. In the third Al site, Al(3) is bonded in a 7-coordinate geometry to two equivalent Mo(2), three equivalent Mo(4), three equivalent Al(5), and two equivalent Si(2) atoms. In the fourth Al site, Al(4) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), three equivalent Mo(3), one Al(1), three equivalent Al(2), and one Si(3) atom. In the fifth Al site, Al(5) is bonded in a 10-coordinate geometry to two equivalent Mo(2), three equivalent Mo(4), two equivalent Al(1), and three equivalent Al(3) 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(3), three equivalent Mo(1), two equivalent Al(2), and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a distorted q6 geometry to one Mo(3), one Mo(4), three equivalent Mo(2), one Al(2), one Al(3), and three equivalent Al(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Mo(3), three equivalent Mo(1), two equivalent Al(4), and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al4Si2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   4.804
_cell_length_c   13.459
_cell_angle_alpha   84.871
_cell_angle_beta   84.871
_cell_angle_gamma   119.309
_symmetry_Int_Tables_number   1
_cell_volume   266.576
_cell_formula_units_Z   2
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  0.370  0.295  0.831  1.0
  Al  Al1  1  0.705  0.630  0.169  1.0
  Al  Al2  1  0.626  0.044  0.332  1.0
  Al  Al3  1  0.956  0.374  0.668  1.0
  Al  Al4  1  0.293  0.707  0.000  1.0
  Al  Al5  1  0.294  0.369  0.335  1.0
  Al  Al6  1  0.631  0.706  0.665  1.0
  Al  Al7  1  0.964  0.036  0.000  1.0
  Si  Si8  1  0.712  0.288  0.500  1.0
  Si  Si9  1  0.042  0.631  0.832  1.0
  Si  Si10  1  0.369  0.958  0.168  1.0
  Si  Si11  1  0.035  0.965  0.500  1.0
  Mo  Mo12  1  0.369  0.631  0.500  1.0
  Mo  Mo13  1  0.704  0.961  0.833  1.0
  Mo  Mo14  1  0.039  0.296  0.167  1.0
  Mo  Mo15  1  0.964  0.706  0.338  1.0
  Mo  Mo16  1  0.294  0.036  0.662  1.0
  Mo  Mo17  1  0.632  0.368  0.000  1.0
[/CIF]
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The material structure described by Al4Mo3Si2 is Titanium Disilicide-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to two equivalent Al(2), two equivalent Al(4), three equivalent Si(1), and three equivalent Si(3) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Al(2), one Al(3), one Al(4), one Al(5), three equivalent Al(1), and three equivalent Si(2) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Al(1), three equivalent Al(2), three equivalent Al(4), one Si(1), one Si(2), and one Si(3) atom. In the fourth Mo site, Mo(4) is bonded in a distorted q6 geometry to two equivalent Al(1), three equivalent Al(3), three equivalent Al(5), and two equivalent Si(2) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), three equivalent Mo(2), one Al(4), one Al(5), and three equivalent Si(2) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(2), three equivalent Mo(3), three equivalent Al(4), one Si(1), and one Si(2) atom. In the third Al site, Al(3) is bonded in a 7-coordinate geometry to two equivalent Mo(2), three equivalent Mo(4), three equivalent Al(5), and two equivalent Si(2) atoms. In the fourth Al site, Al(4) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), three equivalent Mo(3), one Al(1), three equivalent Al(2), and one Si(3) atom. In the fifth Al site, Al(5) is bonded in a 10-coordinate geometry to two equivalent Mo(2), three equivalent Mo(4), two equivalent Al(1), and three equivalent Al(3) 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(3), three equivalent Mo(1), two equivalent Al(2), and three equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a distorted q6 geometry to one Mo(3), one Mo(4), three equivalent Mo(2), one Al(2), one Al(3), and three equivalent Al(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Mo(3), three equivalent Mo(1), two equivalent Al(4), and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al4Si2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   4.804
_cell_length_c   13.459
_cell_angle_alpha   84.871
_cell_angle_beta   84.871
_cell_angle_gamma   119.309
_symmetry_Int_Tables_number   1
_cell_volume   266.576
_cell_formula_units_Z   2
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  0.370  0.295  0.831  1.0
  Al  Al1  1  0.705  0.630  0.169  1.0
  Al  Al2  1  0.626  0.044  0.332  1.0
  Al  Al3  1  0.956  0.374  0.668  1.0
  Al  Al4  1  0.293  0.707  0.000  1.0
  Al  Al5  1  0.294  0.369  0.335  1.0
  Al  Al6  1  0.631  0.706  0.665  1.0
  Al  Al7  1  0.964  0.036  0.000  1.0
  Si  Si8  1  0.712  0.288  0.500  1.0
  Si  Si9  1  0.042  0.631  0.832  1.0
  Si  Si10  1  0.369  0.958  0.168  1.0
  Si  Si11  1  0.035  0.965  0.500  1.0
  Mo  Mo12  1  0.369  0.631  0.500  1.0
  Mo  Mo13  1  0.704  0.961  0.833  1.0
  Mo  Mo14  1  0.039  0.296  0.167  1.0
  Mo  Mo15  1  0.964  0.706  0.338  1.0
  Mo  Mo16  1  0.294  0.036  0.662  1.0
  Mo  Mo17  1  0.632  0.368  0.000  1.0
[/CIF]
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