The crystal structure described by Sc2Re3Si4 is delta Molybdenum Boride-derived structured and crystallizes in the tetragonal P4_12_12 space group. Sc(1) is bonded in a 11-coordinate geometry to two equivalent Re(1), two equivalent Re(2), three equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 14-coordinate geometry to four equivalent Sc(1), four equivalent Re(2), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Re site, Re(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Re(1), three equivalent Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent Re(1), three equivalent Re(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Re(1), three equivalent Re(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Re3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.603
_cell_length_b   6.603
_cell_length_c   12.416
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.327
_cell_formula_units_Z   4
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  0.008  0.658  0.031  1.0
  Sc  Sc1  1  0.992  0.342  0.531  1.0
  Sc  Sc2  1  0.342  0.992  0.469  1.0
  Sc  Sc3  1  0.158  0.492  0.781  1.0
  Sc  Sc4  1  0.842  0.508  0.281  1.0
  Sc  Sc5  1  0.492  0.158  0.219  1.0
  Sc  Sc6  1  0.508  0.842  0.719  1.0
  Sc  Sc7  1  0.658  0.008  0.969  1.0
  Re  Re8  1  0.668  0.668  0.500  1.0
  Re  Re9  1  0.168  0.832  0.250  1.0
  Re  Re10  1  0.332  0.332  0.000  1.0
  Re  Re11  1  0.019  0.814  0.633  1.0
  Re  Re12  1  0.981  0.186  0.133  1.0
  Re  Re13  1  0.814  0.019  0.367  1.0
  Re  Re14  1  0.314  0.481  0.383  1.0
  Re  Re15  1  0.686  0.519  0.883  1.0
  Re  Re16  1  0.481  0.314  0.617  1.0
  Re  Re17  1  0.519  0.686  0.117  1.0
  Re  Re18  1  0.186  0.981  0.867  1.0
  Re  Re19  1  0.832  0.168  0.750  1.0
  Si  Si20  1  0.026  0.722  0.438  1.0
  Si  Si21  1  0.620  0.305  0.431  1.0
  Si  Si22  1  0.380  0.695  0.931  1.0
  Si  Si23  1  0.195  0.120  0.681  1.0
  Si  Si24  1  0.305  0.620  0.569  1.0
  Si  Si25  1  0.695  0.380  0.069  1.0
  Si  Si26  1  0.805  0.880  0.181  1.0
  Si  Si27  1  0.120  0.195  0.319  1.0
  Si  Si28  1  0.974  0.278  0.938  1.0
  Si  Si29  1  0.722  0.026  0.562  1.0
  Si  Si30  1  0.222  0.474  0.188  1.0
  Si  Si31  1  0.778  0.526  0.688  1.0
  Si  Si32  1  0.474  0.222  0.812  1.0
  Si  Si33  1  0.526  0.778  0.312  1.0
  Si  Si34  1  0.278  0.974  0.062  1.0
  Si  Si35  1  0.880  0.805  0.819  1.0
[/CIF]
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The crystal structure described by Sc2Re3Si4 is delta Molybdenum Boride-derived structured and crystallizes in the tetragonal P4_12_12 space group. Sc(1) is bonded in a 11-coordinate geometry to two equivalent Re(1), two equivalent Re(2), three equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 14-coordinate geometry to four equivalent Sc(1), four equivalent Re(2), two equivalent Si(2), and four equivalent Si(1) atoms. In the second Re site, Re(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Re(1), three equivalent Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent Re(1), three equivalent Re(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Re(1), three equivalent Re(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Re3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.603
_cell_length_b   6.603
_cell_length_c   12.416
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.327
_cell_formula_units_Z   4
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  0.008  0.658  0.031  1.0
  Sc  Sc1  1  0.992  0.342  0.531  1.0
  Sc  Sc2  1  0.342  0.992  0.469  1.0
  Sc  Sc3  1  0.158  0.492  0.781  1.0
  Sc  Sc4  1  0.842  0.508  0.281  1.0
  Sc  Sc5  1  0.492  0.158  0.219  1.0
  Sc  Sc6  1  0.508  0.842  0.719  1.0
  Sc  Sc7  1  0.658  0.008  0.969  1.0
  Re  Re8  1  0.668  0.668  0.500  1.0
  Re  Re9  1  0.168  0.832  0.250  1.0
  Re  Re10  1  0.332  0.332  0.000  1.0
  Re  Re11  1  0.019  0.814  0.633  1.0
  Re  Re12  1  0.981  0.186  0.133  1.0
  Re  Re13  1  0.814  0.019  0.367  1.0
  Re  Re14  1  0.314  0.481  0.383  1.0
  Re  Re15  1  0.686  0.519  0.883  1.0
  Re  Re16  1  0.481  0.314  0.617  1.0
  Re  Re17  1  0.519  0.686  0.117  1.0
  Re  Re18  1  0.186  0.981  0.867  1.0
  Re  Re19  1  0.832  0.168  0.750  1.0
  Si  Si20  1  0.026  0.722  0.438  1.0
  Si  Si21  1  0.620  0.305  0.431  1.0
  Si  Si22  1  0.380  0.695  0.931  1.0
  Si  Si23  1  0.195  0.120  0.681  1.0
  Si  Si24  1  0.305  0.620  0.569  1.0
  Si  Si25  1  0.695  0.380  0.069  1.0
  Si  Si26  1  0.805  0.880  0.181  1.0
  Si  Si27  1  0.120  0.195  0.319  1.0
  Si  Si28  1  0.974  0.278  0.938  1.0
  Si  Si29  1  0.722  0.026  0.562  1.0
  Si  Si30  1  0.222  0.474  0.188  1.0
  Si  Si31  1  0.778  0.526  0.688  1.0
  Si  Si32  1  0.474  0.222  0.812  1.0
  Si  Si33  1  0.526  0.778  0.312  1.0
  Si  Si34  1  0.278  0.974  0.062  1.0
  Si  Si35  1  0.880  0.805  0.819  1.0
[/CIF]
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