The compound described by Sc2CoSi2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Co(1), one Si(2), and five equivalent Si(1) atoms. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent Si(1), and five equivalent Si(2) atoms. Co(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one 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 two equivalent Sc(2), five equivalent Sc(1), one Co(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Sc(1), five equivalent Sc(2), three equivalent Co(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Sc2CoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   5.306
_cell_length_c   8.492
_cell_angle_alpha   82.703
_cell_angle_beta   76.578
_cell_angle_gamma   68.190
_symmetry_Int_Tables_number   1
_cell_volume   160.247
_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  0.684  0.738  0.894  1.0
  Sc  Sc1  1  0.499  0.673  0.329  1.0
  Sc  Sc2  1  0.316  0.262  0.106  1.0
  Sc  Sc3  1  0.501  0.327  0.671  1.0
  Co  Co4  1  0.226  0.924  0.624  1.0
  Co  Co5  1  0.774  0.076  0.376  1.0
  Si  Si6  1  0.011  0.852  0.126  1.0
  Si  Si7  1  0.854  0.722  0.569  1.0
  Si  Si8  1  0.989  0.148  0.874  1.0
  Si  Si9  1  0.146  0.278  0.431  1.0
[/CIF]
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The compound described by Sc2CoSi2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Co(1), one Si(2), and five equivalent Si(1) atoms. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent Si(1), and five equivalent Si(2) atoms. Co(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one 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 two equivalent Sc(2), five equivalent Sc(1), one Co(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Sc(1), five equivalent Sc(2), three equivalent Co(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Sc2CoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   5.306
_cell_length_c   8.492
_cell_angle_alpha   82.703
_cell_angle_beta   76.578
_cell_angle_gamma   68.190
_symmetry_Int_Tables_number   1
_cell_volume   160.247
_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  0.684  0.738  0.894  1.0
  Sc  Sc1  1  0.499  0.673  0.329  1.0
  Sc  Sc2  1  0.316  0.262  0.106  1.0
  Sc  Sc3  1  0.501  0.327  0.671  1.0
  Co  Co4  1  0.226  0.924  0.624  1.0
  Co  Co5  1  0.774  0.076  0.376  1.0
  Si  Si6  1  0.011  0.852  0.126  1.0
  Si  Si7  1  0.854  0.722  0.569  1.0
  Si  Si8  1  0.989  0.148  0.874  1.0
  Si  Si9  1  0.146  0.278  0.431  1.0
[/CIF]
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