The material structure described by Sc2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Sc(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Cr(2), and four equivalent Cr(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Sc(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Sc2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.199
_cell_length_b   9.199
_cell_length_c   9.199
_cell_angle_alpha   149.197
_cell_angle_beta   131.522
_cell_angle_gamma   58.541
_symmetry_Int_Tables_number   1
_cell_volume   296.143
_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  0.738  0.357  0.381  1.0
  Sc  Sc1  1  0.976  0.857  0.119  1.0
  Sc  Sc2  1  0.024  0.143  0.881  1.0
  Sc  Sc3  1  0.262  0.643  0.619  1.0
  Cr  Cr4  1  0.309  0.560  0.250  1.0
  Cr  Cr5  1  0.309  0.059  0.750  1.0
  Cr  Cr6  1  0.691  0.441  0.750  1.0
  Cr  Cr7  1  0.315  0.061  0.254  1.0
  Cr  Cr8  1  0.685  0.939  0.746  1.0
  Cr  Cr9  1  0.193  0.439  0.754  1.0
  Cr  Cr10  1  0.807  0.561  0.246  1.0
  Cr  Cr11  1  0.691  0.941  0.250  1.0
  Si  Si12  1  1.000  0.250  0.250  1.0
  Si  Si13  1  0.004  0.711  0.293  1.0
  Si  Si14  1  0.996  0.289  0.707  1.0
  Si  Si15  1  0.581  0.788  0.793  1.0
  Si  Si16  1  0.000  0.750  0.750  1.0
  Si  Si17  1  0.513  0.436  0.077  1.0
  Si  Si18  1  0.487  0.564  0.923  1.0
  Si  Si19  1  0.642  0.065  0.577  1.0
  Si  Si20  1  0.358  0.935  0.423  1.0
  Si  Si21  1  0.419  0.212  0.207  1.0
[/CIF]
.
The material structure described by Sc2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Sc(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Cr(2), and four equivalent Cr(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Sc(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Sc2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.199
_cell_length_b   9.199
_cell_length_c   9.199
_cell_angle_alpha   149.197
_cell_angle_beta   131.522
_cell_angle_gamma   58.541
_symmetry_Int_Tables_number   1
_cell_volume   296.143
_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  0.738  0.357  0.381  1.0
  Sc  Sc1  1  0.976  0.857  0.119  1.0
  Sc  Sc2  1  0.024  0.143  0.881  1.0
  Sc  Sc3  1  0.262  0.643  0.619  1.0
  Cr  Cr4  1  0.309  0.560  0.250  1.0
  Cr  Cr5  1  0.309  0.059  0.750  1.0
  Cr  Cr6  1  0.691  0.441  0.750  1.0
  Cr  Cr7  1  0.315  0.061  0.254  1.0
  Cr  Cr8  1  0.685  0.939  0.746  1.0
  Cr  Cr9  1  0.193  0.439  0.754  1.0
  Cr  Cr10  1  0.807  0.561  0.246  1.0
  Cr  Cr11  1  0.691  0.941  0.250  1.0
  Si  Si12  1  1.000  0.250  0.250  1.0
  Si  Si13  1  0.004  0.711  0.293  1.0
  Si  Si14  1  0.996  0.289  0.707  1.0
  Si  Si15  1  0.581  0.788  0.793  1.0
  Si  Si16  1  0.000  0.750  0.750  1.0
  Si  Si17  1  0.513  0.436  0.077  1.0
  Si  Si18  1  0.487  0.564  0.923  1.0
  Si  Si19  1  0.642  0.065  0.577  1.0
  Si  Si20  1  0.358  0.935  0.423  1.0
  Si  Si21  1  0.419  0.212  0.207  1.0
[/CIF]
.