The crystal structure described by ScPdSn crystallizes in the hexagonal P-62c space group. Sc(1) is bonded in a 11-coordinate geometry to one Pd(2), four equivalent Pd(1), and six equivalent Sn(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Sn(1) atoms. In the second Pd site, Pd(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to six equivalent Sc(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.482
_cell_length_b   7.482
_cell_length_c   7.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   351.106
_cell_formula_units_Z   6
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  0.401  0.015  0.250  1.0
  Sc  Sc1  1  0.614  0.599  0.250  1.0
  Sc  Sc2  1  0.985  0.386  0.250  1.0
  Sc  Sc3  1  0.386  0.985  0.750  1.0
  Sc  Sc4  1  0.599  0.614  0.750  1.0
  Sc  Sc5  1  0.015  0.401  0.750  1.0
  Sn  Sn6  1  0.725  0.000  0.000  1.0
  Sn  Sn7  1  0.275  0.275  0.500  1.0
  Sn  Sn8  1  0.000  0.725  0.500  1.0
  Sn  Sn9  1  0.000  0.725  0.000  1.0
  Sn  Sn10  1  0.275  0.275  0.000  1.0
  Sn  Sn11  1  0.725  0.000  0.500  1.0
  Pd  Pd12  1  0.333  0.667  0.032  1.0
  Pd  Pd13  1  0.333  0.667  0.468  1.0
  Pd  Pd14  1  0.667  0.333  0.968  1.0
  Pd  Pd15  1  0.667  0.333  0.532  1.0
  Pd  Pd16  1  0.000  0.000  0.250  1.0
  Pd  Pd17  1  0.000  0.000  0.750  1.0
[/CIF]
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The crystal structure described by ScPdSn crystallizes in the hexagonal P-62c space group. Sc(1) is bonded in a 11-coordinate geometry to one Pd(2), four equivalent Pd(1), and six equivalent Sn(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Sn(1) atoms. In the second Pd site, Pd(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to six equivalent Sc(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.482
_cell_length_b   7.482
_cell_length_c   7.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   351.106
_cell_formula_units_Z   6
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  0.401  0.015  0.250  1.0
  Sc  Sc1  1  0.614  0.599  0.250  1.0
  Sc  Sc2  1  0.985  0.386  0.250  1.0
  Sc  Sc3  1  0.386  0.985  0.750  1.0
  Sc  Sc4  1  0.599  0.614  0.750  1.0
  Sc  Sc5  1  0.015  0.401  0.750  1.0
  Sn  Sn6  1  0.725  0.000  0.000  1.0
  Sn  Sn7  1  0.275  0.275  0.500  1.0
  Sn  Sn8  1  0.000  0.725  0.500  1.0
  Sn  Sn9  1  0.000  0.725  0.000  1.0
  Sn  Sn10  1  0.275  0.275  0.000  1.0
  Sn  Sn11  1  0.725  0.000  0.500  1.0
  Pd  Pd12  1  0.333  0.667  0.032  1.0
  Pd  Pd13  1  0.333  0.667  0.468  1.0
  Pd  Pd14  1  0.667  0.333  0.968  1.0
  Pd  Pd15  1  0.667  0.333  0.532  1.0
  Pd  Pd16  1  0.000  0.000  0.250  1.0
  Pd  Pd17  1  0.000  0.000  0.750  1.0
[/CIF]
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