The structure described by ScV4Si3 crystallizes in the orthorhombic Amm2 space group. Sc(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(3), and four equivalent V(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(4), and four equivalent V(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(4), two equivalent V(3), and four equivalent V(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one V(4), two equivalent V(2), two equivalent V(3), and four equivalent V(1) atoms. is represented by the CIF card [CIF]
data_ScV4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   7.239
_cell_length_c   7.445
_cell_angle_alpha   120.929
_cell_angle_beta   89.995
_cell_angle_gamma   90.006
_symmetry_Int_Tables_number   1
_cell_volume   228.443
_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  0.750  0.231  0.001  1.0
  Sc  Sc1  1  0.750  0.769  0.770  1.0
  V  V2  1  0.501  0.337  0.668  1.0
  V  V3  1  0.501  0.663  0.331  1.0
  V  V4  1  0.999  0.663  0.331  1.0
  V  V5  1  0.999  0.337  0.668  1.0
  V  V6  1  0.750  0.000  0.260  1.0
  V  V7  1  0.250  0.759  0.004  1.0
  V  V8  1  0.250  0.241  0.245  1.0
  V  V9  1  0.250  0.000  0.728  1.0
  Si  Si10  1  0.750  0.605  0.007  1.0
  Si  Si11  1  0.750  0.395  0.402  1.0
  Si  Si12  1  0.750  0.000  0.592  1.0
  Si  Si13  1  0.250  0.397  0.998  1.0
  Si  Si14  1  0.250  0.603  0.602  1.0
  Si  Si15  1  0.250  0.000  0.392  1.0
[/CIF]
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The structure described by ScV4Si3 crystallizes in the orthorhombic Amm2 space group. Sc(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(3), and four equivalent V(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(4), and four equivalent V(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(4), two equivalent V(3), and four equivalent V(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one V(4), two equivalent V(2), two equivalent V(3), and four equivalent V(1) atoms. is represented by the CIF card [CIF]
data_ScV4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   7.239
_cell_length_c   7.445
_cell_angle_alpha   120.929
_cell_angle_beta   89.995
_cell_angle_gamma   90.006
_symmetry_Int_Tables_number   1
_cell_volume   228.443
_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  0.750  0.231  0.001  1.0
  Sc  Sc1  1  0.750  0.769  0.770  1.0
  V  V2  1  0.501  0.337  0.668  1.0
  V  V3  1  0.501  0.663  0.331  1.0
  V  V4  1  0.999  0.663  0.331  1.0
  V  V5  1  0.999  0.337  0.668  1.0
  V  V6  1  0.750  0.000  0.260  1.0
  V  V7  1  0.250  0.759  0.004  1.0
  V  V8  1  0.250  0.241  0.245  1.0
  V  V9  1  0.250  0.000  0.728  1.0
  Si  Si10  1  0.750  0.605  0.007  1.0
  Si  Si11  1  0.750  0.395  0.402  1.0
  Si  Si12  1  0.750  0.000  0.592  1.0
  Si  Si13  1  0.250  0.397  0.998  1.0
  Si  Si14  1  0.250  0.603  0.602  1.0
  Si  Si15  1  0.250  0.000  0.392  1.0
[/CIF]
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