The crystal structure described by Sc(VSi)5 crystallizes in the monoclinic C2/m space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent V(4), one Si(2), one Si(4), two equivalent Si(3), and three equivalent Si(1) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(4), one Si(5), two equivalent Si(1), and two equivalent Si(2) atoms. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the third V site, V(3) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the fourth V site, V(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Si(1), one Si(5), two equivalent Si(3), and three equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(5) is bonded in a 10-coordinate geometry to one V(4), two equivalent V(1), two equivalent V(2), two equivalent V(3), one Si(5), and two equivalent Si(4) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), one V(2), one V(4), and four equivalent V(1) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to one Sc(1), one V(3), three equivalent V(4), and four equivalent V(1) atoms. In the fourth Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent V(2), two equivalent V(3), two equivalent V(4), and two equivalent Si(3) atoms. In the fifth Si site, Si(4) is bonded in a 8-coordinate geometry to one Sc(1), two equivalent V(1), two equivalent V(2), two equivalent V(3), one Si(4), and two equivalent Si(5) atoms. is represented by the CIF card [CIF]
data_Sc(VSi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.274
_cell_length_b   9.274
_cell_length_c   7.620
_cell_angle_alpha   65.807
_cell_angle_beta   65.807
_cell_angle_gamma   30.828
_symmetry_Int_Tables_number   1
_cell_volume   303.976
_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  0.642  0.642  0.744  1.0
  Sc  Sc1  1  0.358  0.358  0.256  1.0
  V  V2  1  0.563  0.060  0.689  1.0
  V  V3  1  0.940  0.437  0.311  1.0
  V  V4  1  0.437  0.940  0.311  1.0
  V  V5  1  0.060  0.563  0.689  1.0
  V  V6  1  0.937  0.937  0.319  1.0
  V  V7  1  0.063  0.063  0.681  1.0
  V  V8  1  0.565  0.565  0.190  1.0
  V  V9  1  0.435  0.435  0.810  1.0
  V  V10  1  0.858  0.858  0.025  1.0
  V  V11  1  0.142  0.142  0.975  1.0
  Si  Si12  1  0.788  0.788  0.412  1.0
  Si  Si13  1  0.212  0.212  0.588  1.0
  Si  Si14  1  0.716  0.716  0.993  1.0
  Si  Si15  1  0.284  0.284  0.007  1.0
  Si  Si16  1  0.247  0.753  0.000  1.0
  Si  Si17  1  0.753  0.247  0.000  1.0
  Si  Si18  1  0.563  0.563  0.520  1.0
  Si  Si19  1  0.437  0.437  0.480  1.0
  Si  Si20  1  0.936  0.936  0.654  1.0
  Si  Si21  1  0.064  0.064  0.346  1.0
[/CIF]
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The crystal structure described by Sc(VSi)5 crystallizes in the monoclinic C2/m space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent V(4), one Si(2), one Si(4), two equivalent Si(3), and three equivalent Si(1) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(4), one Si(5), two equivalent Si(1), and two equivalent Si(2) atoms. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the third V site, V(3) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the fourth V site, V(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Si(1), one Si(5), two equivalent Si(3), and three equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(5) is bonded in a 10-coordinate geometry to one V(4), two equivalent V(1), two equivalent V(2), two equivalent V(3), one Si(5), and two equivalent Si(4) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), one V(2), one V(4), and four equivalent V(1) atoms. In the third Si site, Si(2) is bonded in a 9-coordinate geometry to one Sc(1), one V(3), three equivalent V(4), and four equivalent V(1) atoms. In the fourth Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent V(2), two equivalent V(3), two equivalent V(4), and two equivalent Si(3) atoms. In the fifth Si site, Si(4) is bonded in a 8-coordinate geometry to one Sc(1), two equivalent V(1), two equivalent V(2), two equivalent V(3), one Si(4), and two equivalent Si(5) atoms. is represented by the CIF card [CIF]
data_Sc(VSi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.274
_cell_length_b   9.274
_cell_length_c   7.620
_cell_angle_alpha   65.807
_cell_angle_beta   65.807
_cell_angle_gamma   30.828
_symmetry_Int_Tables_number   1
_cell_volume   303.976
_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  0.642  0.642  0.744  1.0
  Sc  Sc1  1  0.358  0.358  0.256  1.0
  V  V2  1  0.563  0.060  0.689  1.0
  V  V3  1  0.940  0.437  0.311  1.0
  V  V4  1  0.437  0.940  0.311  1.0
  V  V5  1  0.060  0.563  0.689  1.0
  V  V6  1  0.937  0.937  0.319  1.0
  V  V7  1  0.063  0.063  0.681  1.0
  V  V8  1  0.565  0.565  0.190  1.0
  V  V9  1  0.435  0.435  0.810  1.0
  V  V10  1  0.858  0.858  0.025  1.0
  V  V11  1  0.142  0.142  0.975  1.0
  Si  Si12  1  0.788  0.788  0.412  1.0
  Si  Si13  1  0.212  0.212  0.588  1.0
  Si  Si14  1  0.716  0.716  0.993  1.0
  Si  Si15  1  0.284  0.284  0.007  1.0
  Si  Si16  1  0.247  0.753  0.000  1.0
  Si  Si17  1  0.753  0.247  0.000  1.0
  Si  Si18  1  0.563  0.563  0.520  1.0
  Si  Si19  1  0.437  0.437  0.480  1.0
  Si  Si20  1  0.936  0.936  0.654  1.0
  Si  Si21  1  0.064  0.064  0.346  1.0
[/CIF]
.