The compound described by Sc2Zr is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Sc(2), four equivalent Sc(1), and five equivalent Zr(1) atoms to form ScZr5Sc7 cuboctahedra that share corners with six equivalent Sc(2)Zr4Sc8 cuboctahedra, corners with six equivalent Sc(1)Zr5Sc7 cuboctahedra, corners with six equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with five equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with six equivalent Sc(1)Zr5Sc7 cuboctahedra, edges with seven equivalent Sc(2)Zr4Sc8 cuboctahedra, faces with five equivalent Sc(1)Zr5Sc7 cuboctahedra, faces with seven equivalent Sc(2)Zr4Sc8 cuboctahedra, and faces with eight equivalent Zr(1)Zr3Sc9 cuboctahedra. In the second Sc site, Sc(2) is bonded to three equivalent Sc(1), five equivalent Sc(2), and four equivalent Zr(1) atoms to form ScZr4Sc8 cuboctahedra that share corners with six equivalent Sc(2)Zr4Sc8 cuboctahedra, corners with six equivalent Sc(1)Zr5Sc7 cuboctahedra, corners with six equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with two equivalent Sc(2)Zr4Sc8 cuboctahedra, edges with seven equivalent Sc(1)Zr5Sc7 cuboctahedra, edges with nine equivalent Zr(1)Zr3Sc9 cuboctahedra, faces with six equivalent Zr(1)Zr3Sc9 cuboctahedra, faces with seven equivalent Sc(2)Zr4Sc8 cuboctahedra, and faces with seven equivalent Sc(1)Zr5Sc7 cuboctahedra. Zr(1) is bonded to four equivalent Sc(2), five equivalent Sc(1), and three equivalent Zr(1) atoms to form ZrZr3Sc9 cuboctahedra that share corners with six equivalent Sc(2)Zr4Sc8 cuboctahedra, corners with six equivalent Sc(1)Zr5Sc7 cuboctahedra, corners with six equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with four equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with five equivalent Sc(1)Zr5Sc7 cuboctahedra, edges with nine equivalent Sc(2)Zr4Sc8 cuboctahedra, faces with six equivalent Sc(2)Zr4Sc8 cuboctahedra, faces with six equivalent Zr(1)Zr3Sc9 cuboctahedra, and faces with eight equivalent Sc(1)Zr5Sc7 cuboctahedra. is represented by the CIF card [CIF]
data_ZrSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.290
_cell_length_b   6.182
_cell_length_c   7.651
_cell_angle_alpha   102.925
_cell_angle_beta   90.000
_cell_angle_gamma   105.433
_symmetry_Int_Tables_number   1
_cell_volume   145.909
_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
  Zr  Zr0  1  0.478  0.957  0.192  1.0
  Zr  Zr1  1  0.522  0.043  0.808  1.0
  Sc  Sc2  1  0.808  0.615  0.862  1.0
  Sc  Sc3  1  0.192  0.385  0.138  1.0
  Sc  Sc4  1  0.866  0.733  0.470  1.0
  Sc  Sc5  1  0.134  0.267  0.530  1.0
[/CIF]
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The compound described by Sc2Zr is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Sc(2), four equivalent Sc(1), and five equivalent Zr(1) atoms to form ScZr5Sc7 cuboctahedra that share corners with six equivalent Sc(2)Zr4Sc8 cuboctahedra, corners with six equivalent Sc(1)Zr5Sc7 cuboctahedra, corners with six equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with five equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with six equivalent Sc(1)Zr5Sc7 cuboctahedra, edges with seven equivalent Sc(2)Zr4Sc8 cuboctahedra, faces with five equivalent Sc(1)Zr5Sc7 cuboctahedra, faces with seven equivalent Sc(2)Zr4Sc8 cuboctahedra, and faces with eight equivalent Zr(1)Zr3Sc9 cuboctahedra. In the second Sc site, Sc(2) is bonded to three equivalent Sc(1), five equivalent Sc(2), and four equivalent Zr(1) atoms to form ScZr4Sc8 cuboctahedra that share corners with six equivalent Sc(2)Zr4Sc8 cuboctahedra, corners with six equivalent Sc(1)Zr5Sc7 cuboctahedra, corners with six equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with two equivalent Sc(2)Zr4Sc8 cuboctahedra, edges with seven equivalent Sc(1)Zr5Sc7 cuboctahedra, edges with nine equivalent Zr(1)Zr3Sc9 cuboctahedra, faces with six equivalent Zr(1)Zr3Sc9 cuboctahedra, faces with seven equivalent Sc(2)Zr4Sc8 cuboctahedra, and faces with seven equivalent Sc(1)Zr5Sc7 cuboctahedra. Zr(1) is bonded to four equivalent Sc(2), five equivalent Sc(1), and three equivalent Zr(1) atoms to form ZrZr3Sc9 cuboctahedra that share corners with six equivalent Sc(2)Zr4Sc8 cuboctahedra, corners with six equivalent Sc(1)Zr5Sc7 cuboctahedra, corners with six equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with four equivalent Zr(1)Zr3Sc9 cuboctahedra, edges with five equivalent Sc(1)Zr5Sc7 cuboctahedra, edges with nine equivalent Sc(2)Zr4Sc8 cuboctahedra, faces with six equivalent Sc(2)Zr4Sc8 cuboctahedra, faces with six equivalent Zr(1)Zr3Sc9 cuboctahedra, and faces with eight equivalent Sc(1)Zr5Sc7 cuboctahedra. is represented by the CIF card [CIF]
data_ZrSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.290
_cell_length_b   6.182
_cell_length_c   7.651
_cell_angle_alpha   102.925
_cell_angle_beta   90.000
_cell_angle_gamma   105.433
_symmetry_Int_Tables_number   1
_cell_volume   145.909
_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
  Zr  Zr0  1  0.478  0.957  0.192  1.0
  Zr  Zr1  1  0.522  0.043  0.808  1.0
  Sc  Sc2  1  0.808  0.615  0.862  1.0
  Sc  Sc3  1  0.192  0.385  0.138  1.0
  Sc  Sc4  1  0.866  0.733  0.470  1.0
  Sc  Sc5  1  0.134  0.267  0.530  1.0
[/CIF]
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