The material structure described by Sc6Pb5 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Pb(1) and four equivalent Pb(2) atoms. In the second Sc site, Sc(2) is bonded to one Pb(1), two equivalent Pb(3), and four equivalent Pb(2) atoms to form a mixture of distorted corner, edge, and face-sharing ScPb7 pentagonal bipyramids. In the third Sc site, Sc(3) is bonded to one Pb(2), two equivalent Pb(3), and four equivalent Pb(1) atoms to form a mixture of distorted corner, edge, and face-sharing ScPb7 pentagonal bipyramids. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Sc(2), two equivalent Sc(1), and four equivalent Sc(3) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to one Sc(3), four equivalent Sc(1), and four equivalent Sc(2) atoms. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to four equivalent Sc(2) and four equivalent Sc(3) atoms. is represented by the CIF card [CIF]
data_Sc6Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   8.961
_cell_length_c   11.116
_cell_angle_alpha   113.770
_cell_angle_beta   106.342
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.662
_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  0.445  0.695  0.390  1.0
  Sc  Sc1  1  0.642  0.030  0.284  1.0
  Sc  Sc2  1  0.940  0.206  0.880  1.0
  Sc  Sc3  1  0.142  0.254  0.284  1.0
  Sc  Sc4  1  0.858  0.746  0.716  1.0
  Sc  Sc5  1  0.560  0.326  0.120  1.0
  Sc  Sc6  1  0.440  0.674  0.880  1.0
  Sc  Sc7  1  0.555  0.305  0.610  1.0
  Sc  Sc8  1  0.060  0.794  0.120  1.0
  Sc  Sc9  1  0.055  0.305  0.610  1.0
  Sc  Sc10  1  0.358  0.970  0.716  1.0
  Sc  Sc11  1  0.945  0.695  0.390  1.0
  Pb  Pb12  1  0.575  0.676  0.151  1.0
  Pb  Pb13  1  0.794  0.989  0.587  1.0
  Pb  Pb14  1  0.075  0.475  0.151  1.0
  Pb  Pb15  1  0.250  0.000  0.000  1.0
  Pb  Pb16  1  0.294  0.598  0.587  1.0
  Pb  Pb17  1  0.425  0.324  0.849  1.0
  Pb  Pb18  1  0.706  0.402  0.413  1.0
  Pb  Pb19  1  0.206  0.011  0.413  1.0
  Pb  Pb20  1  0.925  0.525  0.849  1.0
  Pb  Pb21  1  0.750  0.000  0.000  1.0
[/CIF]
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The material structure described by Sc6Pb5 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Pb(1) and four equivalent Pb(2) atoms. In the second Sc site, Sc(2) is bonded to one Pb(1), two equivalent Pb(3), and four equivalent Pb(2) atoms to form a mixture of distorted corner, edge, and face-sharing ScPb7 pentagonal bipyramids. In the third Sc site, Sc(3) is bonded to one Pb(2), two equivalent Pb(3), and four equivalent Pb(1) atoms to form a mixture of distorted corner, edge, and face-sharing ScPb7 pentagonal bipyramids. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Sc(2), two equivalent Sc(1), and four equivalent Sc(3) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to one Sc(3), four equivalent Sc(1), and four equivalent Sc(2) atoms. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to four equivalent Sc(2) and four equivalent Sc(3) atoms. is represented by the CIF card [CIF]
data_Sc6Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   8.961
_cell_length_c   11.116
_cell_angle_alpha   113.770
_cell_angle_beta   106.342
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.662
_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  0.445  0.695  0.390  1.0
  Sc  Sc1  1  0.642  0.030  0.284  1.0
  Sc  Sc2  1  0.940  0.206  0.880  1.0
  Sc  Sc3  1  0.142  0.254  0.284  1.0
  Sc  Sc4  1  0.858  0.746  0.716  1.0
  Sc  Sc5  1  0.560  0.326  0.120  1.0
  Sc  Sc6  1  0.440  0.674  0.880  1.0
  Sc  Sc7  1  0.555  0.305  0.610  1.0
  Sc  Sc8  1  0.060  0.794  0.120  1.0
  Sc  Sc9  1  0.055  0.305  0.610  1.0
  Sc  Sc10  1  0.358  0.970  0.716  1.0
  Sc  Sc11  1  0.945  0.695  0.390  1.0
  Pb  Pb12  1  0.575  0.676  0.151  1.0
  Pb  Pb13  1  0.794  0.989  0.587  1.0
  Pb  Pb14  1  0.075  0.475  0.151  1.0
  Pb  Pb15  1  0.250  0.000  0.000  1.0
  Pb  Pb16  1  0.294  0.598  0.587  1.0
  Pb  Pb17  1  0.425  0.324  0.849  1.0
  Pb  Pb18  1  0.706  0.402  0.413  1.0
  Pb  Pb19  1  0.206  0.011  0.413  1.0
  Pb  Pb20  1  0.925  0.525  0.849  1.0
  Pb  Pb21  1  0.750  0.000  0.000  1.0
[/CIF]
.