The crystal structure described by ScPd3H4 crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to six equivalent H(1) atoms to form ScH6 octahedra that share corners with six equivalent Sc(1)H6 octahedra and edges with twelve equivalent Pd(1)H6 octahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form PdH6 octahedra that share corners with six equivalent Pd(1)H6 octahedra, edges with four equivalent Sc(1)H6 octahedra, and edges with eight equivalent Pd(1)H6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to two equivalent Sc(1) and four equivalent Pd(1) atoms. In the second H site, H(2) is bonded to six equivalent Pd(1) atoms to form corner-sharing HPd6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_ScH4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.221
_cell_length_b   4.221
_cell_length_c   4.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.201
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  H  H1  1  0.500  0.000  0.000  1.0
  H  H2  1  0.000  0.500  0.000  1.0
  H  H3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.500  1.0
  Pd  Pd6  1  0.500  0.000  0.500  1.0
  Pd  Pd7  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by ScPd3H4 crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to six equivalent H(1) atoms to form ScH6 octahedra that share corners with six equivalent Sc(1)H6 octahedra and edges with twelve equivalent Pd(1)H6 octahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form PdH6 octahedra that share corners with six equivalent Pd(1)H6 octahedra, edges with four equivalent Sc(1)H6 octahedra, and edges with eight equivalent Pd(1)H6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to two equivalent Sc(1) and four equivalent Pd(1) atoms. In the second H site, H(2) is bonded to six equivalent Pd(1) atoms to form corner-sharing HPd6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_ScH4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.221
_cell_length_b   4.221
_cell_length_c   4.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.201
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  H  H1  1  0.500  0.000  0.000  1.0
  H  H2  1  0.000  0.500  0.000  1.0
  H  H3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.000  0.500  0.500  1.0
  Pd  Pd6  1  0.500  0.000  0.500  1.0
  Pd  Pd7  1  0.500  0.500  0.000  1.0
[/CIF]
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