The structure described by Sc5Bi3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to two equivalent Bi(2) and three equivalent Bi(1) atoms. In the second Sc site, Sc(2) is bonded to two equivalent Bi(2) and four equivalent Bi(1) atoms to form distorted ScBi6 octahedra that share corners with six equivalent Sc(2)Bi6 octahedra, corners with four equivalent Sc(3)Bi5 square pyramids, and faces with two equivalent Sc(3)Bi5 square pyramids. The corner-sharing octahedral tilt angles range from 32-44°. In the third Sc site, Sc(3) is bonded to one Bi(2) and four equivalent Bi(1) atoms to form distorted ScBi5 square pyramids that share corners with four equivalent Sc(2)Bi6 octahedra, edges with two equivalent Sc(3)Bi5 square pyramids, and faces with two equivalent Sc(2)Bi6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the fourth Sc site, Sc(4) is bonded in a 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), two equivalent Sc(3), two equivalent Sc(4), and three equivalent Sc(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Sc(3), one Sc(4), two equivalent Sc(2), and four equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Sc5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.830
_cell_length_b   8.957
_cell_length_c   11.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.047
_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  0.193  0.065  0.064  1.0
  Sc  Sc1  1  0.307  0.065  0.564  1.0
  Sc  Sc2  1  0.307  0.435  0.564  1.0
  Sc  Sc3  1  0.324  0.750  0.269  1.0
  Sc  Sc4  1  0.479  0.750  0.994  1.0
  Sc  Sc5  1  0.160  0.250  0.787  1.0
  Sc  Sc6  1  0.807  0.935  0.936  1.0
  Sc  Sc7  1  0.660  0.750  0.713  1.0
  Sc  Sc8  1  0.021  0.750  0.494  1.0
  Sc  Sc9  1  0.693  0.935  0.436  1.0
  Sc  Sc10  1  0.193  0.435  0.064  1.0
  Sc  Sc11  1  0.340  0.250  0.287  1.0
  Sc  Sc12  1  0.176  0.750  0.769  1.0
  Sc  Sc13  1  0.979  0.250  0.506  1.0
  Sc  Sc14  1  0.693  0.565  0.436  1.0
  Sc  Sc15  1  0.676  0.250  0.731  1.0
  Sc  Sc16  1  0.807  0.565  0.936  1.0
  Sc  Sc17  1  0.521  0.250  0.006  1.0
  Sc  Sc18  1  0.824  0.250  0.231  1.0
  Sc  Sc19  1  0.840  0.750  0.213  1.0
  Bi  Bi20  1  0.064  0.491  0.324  1.0
  Bi  Bi21  1  0.564  0.509  0.176  1.0
  Bi  Bi22  1  0.402  0.750  0.526  1.0
  Bi  Bi23  1  0.936  0.991  0.676  1.0
  Bi  Bi24  1  0.436  0.009  0.824  1.0
  Bi  Bi25  1  0.564  0.991  0.176  1.0
  Bi  Bi26  1  0.098  0.750  0.026  1.0
  Bi  Bi27  1  0.436  0.491  0.824  1.0
  Bi  Bi28  1  0.064  0.009  0.324  1.0
  Bi  Bi29  1  0.936  0.509  0.676  1.0
  Bi  Bi30  1  0.598  0.250  0.474  1.0
  Bi  Bi31  1  0.902  0.250  0.974  1.0
[/CIF]
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The structure described by Sc5Bi3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to two equivalent Bi(2) and three equivalent Bi(1) atoms. In the second Sc site, Sc(2) is bonded to two equivalent Bi(2) and four equivalent Bi(1) atoms to form distorted ScBi6 octahedra that share corners with six equivalent Sc(2)Bi6 octahedra, corners with four equivalent Sc(3)Bi5 square pyramids, and faces with two equivalent Sc(3)Bi5 square pyramids. The corner-sharing octahedral tilt angles range from 32-44°. In the third Sc site, Sc(3) is bonded to one Bi(2) and four equivalent Bi(1) atoms to form distorted ScBi5 square pyramids that share corners with four equivalent Sc(2)Bi6 octahedra, edges with two equivalent Sc(3)Bi5 square pyramids, and faces with two equivalent Sc(2)Bi6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the fourth Sc site, Sc(4) is bonded in a 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), two equivalent Sc(3), two equivalent Sc(4), and three equivalent Sc(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Sc(3), one Sc(4), two equivalent Sc(2), and four equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_Sc5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.830
_cell_length_b   8.957
_cell_length_c   11.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.047
_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  0.193  0.065  0.064  1.0
  Sc  Sc1  1  0.307  0.065  0.564  1.0
  Sc  Sc2  1  0.307  0.435  0.564  1.0
  Sc  Sc3  1  0.324  0.750  0.269  1.0
  Sc  Sc4  1  0.479  0.750  0.994  1.0
  Sc  Sc5  1  0.160  0.250  0.787  1.0
  Sc  Sc6  1  0.807  0.935  0.936  1.0
  Sc  Sc7  1  0.660  0.750  0.713  1.0
  Sc  Sc8  1  0.021  0.750  0.494  1.0
  Sc  Sc9  1  0.693  0.935  0.436  1.0
  Sc  Sc10  1  0.193  0.435  0.064  1.0
  Sc  Sc11  1  0.340  0.250  0.287  1.0
  Sc  Sc12  1  0.176  0.750  0.769  1.0
  Sc  Sc13  1  0.979  0.250  0.506  1.0
  Sc  Sc14  1  0.693  0.565  0.436  1.0
  Sc  Sc15  1  0.676  0.250  0.731  1.0
  Sc  Sc16  1  0.807  0.565  0.936  1.0
  Sc  Sc17  1  0.521  0.250  0.006  1.0
  Sc  Sc18  1  0.824  0.250  0.231  1.0
  Sc  Sc19  1  0.840  0.750  0.213  1.0
  Bi  Bi20  1  0.064  0.491  0.324  1.0
  Bi  Bi21  1  0.564  0.509  0.176  1.0
  Bi  Bi22  1  0.402  0.750  0.526  1.0
  Bi  Bi23  1  0.936  0.991  0.676  1.0
  Bi  Bi24  1  0.436  0.009  0.824  1.0
  Bi  Bi25  1  0.564  0.991  0.176  1.0
  Bi  Bi26  1  0.098  0.750  0.026  1.0
  Bi  Bi27  1  0.436  0.491  0.824  1.0
  Bi  Bi28  1  0.064  0.009  0.324  1.0
  Bi  Bi29  1  0.936  0.509  0.676  1.0
  Bi  Bi30  1  0.598  0.250  0.474  1.0
  Bi  Bi31  1  0.902  0.250  0.974  1.0
[/CIF]
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