The structure described by BeZrCd is half-Heusler structured and crystallizes in the cubic F-43m space group. Be(1) is bonded to four equivalent Zr(1) atoms to form BeZr4 tetrahedra that share corners with four equivalent Cd(1)Zr4 tetrahedra, corners with twelve equivalent Be(1)Zr4 tetrahedra, and edges with six equivalent Cd(1)Zr4 tetrahedra. Zr(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent Cd(1) atoms. Cd(1) is bonded to four equivalent Zr(1) atoms to form CdZr4 tetrahedra that share corners with four equivalent Be(1)Zr4 tetrahedra, corners with twelve equivalent Cd(1)Zr4 tetrahedra, and edges with six equivalent Be(1)Zr4 tetrahedra. is represented by the CIF card [CIF]
data_ZrBeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.546
_cell_length_b   4.546
_cell_length_c   4.546
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   66.432
_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
  Zr  Zr0  1  0.250  0.250  0.250  1.0
  Be  Be1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by BeZrCd is half-Heusler structured and crystallizes in the cubic F-43m space group. Be(1) is bonded to four equivalent Zr(1) atoms to form BeZr4 tetrahedra that share corners with four equivalent Cd(1)Zr4 tetrahedra, corners with twelve equivalent Be(1)Zr4 tetrahedra, and edges with six equivalent Cd(1)Zr4 tetrahedra. Zr(1) is bonded in a body-centered cubic geometry to four equivalent Be(1) and four equivalent Cd(1) atoms. Cd(1) is bonded to four equivalent Zr(1) atoms to form CdZr4 tetrahedra that share corners with four equivalent Be(1)Zr4 tetrahedra, corners with twelve equivalent Cd(1)Zr4 tetrahedra, and edges with six equivalent Be(1)Zr4 tetrahedra. is represented by the CIF card [CIF]
data_ZrBeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.546
_cell_length_b   4.546
_cell_length_c   4.546
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   66.432
_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
  Zr  Zr0  1  0.250  0.250  0.250  1.0
  Be  Be1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
[/CIF]
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