The crystal structure described by Mo2AlGe3 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Al(3), three equivalent Al(1), one Ge(3), one Ge(6), one Ge(9), and three equivalent Ge(4) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to three equivalent Al(2), one Ge(1), one Ge(2), one Ge(7), one Ge(8), and three equivalent Ge(5) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Al(1), three equivalent Al(3), one Ge(2), one Ge(4), one Ge(8), and three equivalent Ge(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 10-coordinate geometry to one Al(2), one Ge(3), one Ge(5), one Ge(9), three equivalent Ge(1), and three equivalent Ge(7) atoms. In the fifth Mo site, Mo(5) is bonded in a 10-coordinate geometry to one Al(2), one Al(3), one Ge(5), one Ge(6), three equivalent Ge(2), and three equivalent Ge(8) atoms. In the sixth Mo site, Mo(6) is bonded in a 10-coordinate geometry to one Al(1), one Ge(1), one Ge(4), one Ge(7), three equivalent Ge(3), and three equivalent Ge(9) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to one Mo(3), one Mo(6), three equivalent Mo(1), one Ge(6), one Ge(9), and three equivalent Ge(4) atoms. In the second Al site, Al(2) is bonded in a distorted q6 geometry to one Mo(4), one Mo(5), three equivalent Mo(2), one Ge(7), one Ge(8), and three equivalent Ge(5) atoms. In the third Al site, Al(3) is bonded in a distorted q6 geometry to one Mo(1), one Mo(5), three equivalent Mo(3), one Ge(4), one Ge(8), and three equivalent Ge(6) atoms. There are nine inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(6), three equivalent Mo(4), one Ge(5), one Ge(9), and three equivalent Ge(7) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(3), three equivalent Mo(5), one Ge(5), one Ge(6), and three equivalent Ge(8) atoms. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(4), three equivalent Mo(6), one Ge(4), one Ge(7), and three equivalent Ge(9) atoms. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(6), three equivalent Mo(1), one Al(3), three equivalent Al(1), and one Ge(3) atom. In the fifth Ge site, Ge(5) is bonded in a 10-coordinate geometry to one Mo(4), one Mo(5), three equivalent Mo(2), three equivalent Al(2), one Ge(1), and one Ge(2) atom. In the sixth Ge site, Ge(6) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(5), three equivalent Mo(3), one Al(1), three equivalent Al(3), and one Ge(2) atom. In the seventh Ge site, Ge(7) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(6), three equivalent Mo(4), one Al(2), one Ge(3), and three equivalent Ge(1) atoms. In the eighth Ge site, Ge(8) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(3), three equivalent Mo(5), one Al(2), one Al(3), and three equivalent Ge(2) atoms. In the ninth Ge site, Ge(9) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(4), three equivalent Mo(6), one Al(1), one Ge(1), and three equivalent Ge(3) atoms. is represented by the CIF file [CIF]
data_AlGe3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.819
_cell_length_b   4.818
_cell_length_c   13.388
_cell_angle_alpha   90.004
_cell_angle_beta   90.266
_cell_angle_gamma   59.972
_symmetry_Int_Tables_number   1
_cell_volume   269.118
_cell_formula_units_Z   3
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  0.165  0.668  0.085  1.0
  Al  Al1  1  0.162  0.672  0.583  1.0
  Al  Al2  1  0.671  0.161  0.249  1.0
  Ge  Ge3  1  0.670  0.163  0.749  1.0
  Ge  Ge4  1  0.169  0.163  0.416  1.0
  Ge  Ge5  1  0.162  0.164  0.918  1.0
  Ge  Ge6  1  0.828  0.334  0.086  1.0
  Ge  Ge7  1  0.834  0.338  0.583  1.0
  Ge  Ge8  1  0.333  0.831  0.248  1.0
  Ge  Ge9  1  0.325  0.834  0.748  1.0
  Ge  Ge10  1  0.839  0.842  0.416  1.0
  Ge  Ge11  1  0.843  0.833  0.919  1.0
  Mo  Mo12  1  0.499  1.000  0.080  1.0
  Mo  Mo13  1  0.499  0.002  0.584  1.0
  Mo  Mo14  1  0.001  0.498  0.253  1.0
  Mo  Mo15  1  1.000  0.499  0.753  1.0
  Mo  Mo16  1  0.500  0.501  0.417  1.0
  Mo  Mo17  1  0.500  0.497  0.913  1.0
[/CIF]
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The crystal structure described by Mo2AlGe3 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Al(3), three equivalent Al(1), one Ge(3), one Ge(6), one Ge(9), and three equivalent Ge(4) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to three equivalent Al(2), one Ge(1), one Ge(2), one Ge(7), one Ge(8), and three equivalent Ge(5) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Al(1), three equivalent Al(3), one Ge(2), one Ge(4), one Ge(8), and three equivalent Ge(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 10-coordinate geometry to one Al(2), one Ge(3), one Ge(5), one Ge(9), three equivalent Ge(1), and three equivalent Ge(7) atoms. In the fifth Mo site, Mo(5) is bonded in a 10-coordinate geometry to one Al(2), one Al(3), one Ge(5), one Ge(6), three equivalent Ge(2), and three equivalent Ge(8) atoms. In the sixth Mo site, Mo(6) is bonded in a 10-coordinate geometry to one Al(1), one Ge(1), one Ge(4), one Ge(7), three equivalent Ge(3), and three equivalent Ge(9) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to one Mo(3), one Mo(6), three equivalent Mo(1), one Ge(6), one Ge(9), and three equivalent Ge(4) atoms. In the second Al site, Al(2) is bonded in a distorted q6 geometry to one Mo(4), one Mo(5), three equivalent Mo(2), one Ge(7), one Ge(8), and three equivalent Ge(5) atoms. In the third Al site, Al(3) is bonded in a distorted q6 geometry to one Mo(1), one Mo(5), three equivalent Mo(3), one Ge(4), one Ge(8), and three equivalent Ge(6) atoms. There are nine inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(6), three equivalent Mo(4), one Ge(5), one Ge(9), and three equivalent Ge(7) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(3), three equivalent Mo(5), one Ge(5), one Ge(6), and three equivalent Ge(8) atoms. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(4), three equivalent Mo(6), one Ge(4), one Ge(7), and three equivalent Ge(9) atoms. In the fourth Ge site, Ge(4) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(6), three equivalent Mo(1), one Al(3), three equivalent Al(1), and one Ge(3) atom. In the fifth Ge site, Ge(5) is bonded in a 10-coordinate geometry to one Mo(4), one Mo(5), three equivalent Mo(2), three equivalent Al(2), one Ge(1), and one Ge(2) atom. In the sixth Ge site, Ge(6) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(5), three equivalent Mo(3), one Al(1), three equivalent Al(3), and one Ge(2) atom. In the seventh Ge site, Ge(7) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(6), three equivalent Mo(4), one Al(2), one Ge(3), and three equivalent Ge(1) atoms. In the eighth Ge site, Ge(8) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(3), three equivalent Mo(5), one Al(2), one Al(3), and three equivalent Ge(2) atoms. In the ninth Ge site, Ge(9) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(4), three equivalent Mo(6), one Al(1), one Ge(1), and three equivalent Ge(3) atoms. is represented by the CIF file [CIF]
data_AlGe3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.819
_cell_length_b   4.818
_cell_length_c   13.388
_cell_angle_alpha   90.004
_cell_angle_beta   90.266
_cell_angle_gamma   59.972
_symmetry_Int_Tables_number   1
_cell_volume   269.118
_cell_formula_units_Z   3
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  0.165  0.668  0.085  1.0
  Al  Al1  1  0.162  0.672  0.583  1.0
  Al  Al2  1  0.671  0.161  0.249  1.0
  Ge  Ge3  1  0.670  0.163  0.749  1.0
  Ge  Ge4  1  0.169  0.163  0.416  1.0
  Ge  Ge5  1  0.162  0.164  0.918  1.0
  Ge  Ge6  1  0.828  0.334  0.086  1.0
  Ge  Ge7  1  0.834  0.338  0.583  1.0
  Ge  Ge8  1  0.333  0.831  0.248  1.0
  Ge  Ge9  1  0.325  0.834  0.748  1.0
  Ge  Ge10  1  0.839  0.842  0.416  1.0
  Ge  Ge11  1  0.843  0.833  0.919  1.0
  Mo  Mo12  1  0.499  1.000  0.080  1.0
  Mo  Mo13  1  0.499  0.002  0.584  1.0
  Mo  Mo14  1  0.001  0.498  0.253  1.0
  Mo  Mo15  1  1.000  0.499  0.753  1.0
  Mo  Mo16  1  0.500  0.501  0.417  1.0
  Mo  Mo17  1  0.500  0.497  0.913  1.0
[/CIF]
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