The compound described by Sc3Mo2Si3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Mo(3), two equivalent Mo(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(3), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 13-coordinate geometry to four equivalent Sc(1), four equivalent Sc(2), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mo site, Mo(3) is bonded in a 11-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Mo(1), two equivalent Mo(2), and two equivalent Mo(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Mo(1), and two equivalent Mo(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Mo(3), and two equivalent Mo(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Mo(3), and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Sc3Si3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.564
_cell_length_b   7.564
_cell_length_c   5.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.566
_symmetry_Int_Tables_number   1
_cell_volume   272.546
_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
  Sc  Sc0  1  0.000  0.235  0.500  1.0
  Sc  Sc1  1  0.235  0.000  0.500  1.0
  Sc  Sc2  1  0.670  0.334  0.247  1.0
  Sc  Sc3  1  0.334  0.670  0.247  1.0
  Sc  Sc4  1  0.334  0.670  0.753  1.0
  Sc  Sc5  1  0.670  0.334  0.753  1.0
  Si  Si6  1  0.621  0.621  0.000  1.0
  Si  Si7  1  0.002  0.380  0.000  1.0
  Si  Si8  1  0.380  0.002  0.000  1.0
  Si  Si9  1  0.400  0.400  0.500  1.0
  Si  Si10  1  0.993  0.610  0.500  1.0
  Si  Si11  1  0.610  0.993  0.500  1.0
  Mo  Mo12  1  0.278  0.278  0.000  1.0
  Mo  Mo13  1  1.000  0.739  0.000  1.0
  Mo  Mo14  1  0.739  1.000  0.000  1.0
  Mo  Mo15  1  0.736  0.736  0.500  1.0
[/CIF]
.
The compound described by Sc3Mo2Si3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Mo(3), two equivalent Mo(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(3), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 13-coordinate geometry to four equivalent Sc(1), four equivalent Sc(2), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Mo site, Mo(3) is bonded in a 11-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Mo(1), two equivalent Mo(2), and two equivalent Mo(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Mo(1), and two equivalent Mo(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Mo(3), and two equivalent Mo(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Mo(3), and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Sc3Si3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.564
_cell_length_b   7.564
_cell_length_c   5.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.566
_symmetry_Int_Tables_number   1
_cell_volume   272.546
_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
  Sc  Sc0  1  0.000  0.235  0.500  1.0
  Sc  Sc1  1  0.235  0.000  0.500  1.0
  Sc  Sc2  1  0.670  0.334  0.247  1.0
  Sc  Sc3  1  0.334  0.670  0.247  1.0
  Sc  Sc4  1  0.334  0.670  0.753  1.0
  Sc  Sc5  1  0.670  0.334  0.753  1.0
  Si  Si6  1  0.621  0.621  0.000  1.0
  Si  Si7  1  0.002  0.380  0.000  1.0
  Si  Si8  1  0.380  0.002  0.000  1.0
  Si  Si9  1  0.400  0.400  0.500  1.0
  Si  Si10  1  0.993  0.610  0.500  1.0
  Si  Si11  1  0.610  0.993  0.500  1.0
  Mo  Mo12  1  0.278  0.278  0.000  1.0
  Mo  Mo13  1  1.000  0.739  0.000  1.0
  Mo  Mo14  1  0.739  1.000  0.000  1.0
  Mo  Mo15  1  0.736  0.736  0.500  1.0
[/CIF]
.