The material described by MgCd2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to four equivalent Mg(1), three equivalent Cd(1), and five equivalent Cd(2) atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Cd8 cuboctahedra, corners with six equivalent Cd(1)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with five equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with six equivalent Mg(1)Mg4Cd8 cuboctahedra, edges with seven equivalent Cd(1)Mg3Cd9 cuboctahedra, faces with five equivalent Mg(1)Mg4Cd8 cuboctahedra, faces with seven equivalent Cd(1)Mg3Cd9 cuboctahedra, and faces with eight equivalent Cd(2)Mg5Cd7 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Mg(1), four equivalent Cd(2), and five equivalent Cd(1) atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent Mg(1)Mg4Cd8 cuboctahedra, corners with six equivalent Cd(1)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with two equivalent Cd(1)Mg3Cd9 cuboctahedra, edges with seven equivalent Mg(1)Mg4Cd8 cuboctahedra, edges with nine equivalent Cd(2)Mg5Cd7 cuboctahedra, faces with six equivalent Cd(2)Mg5Cd7 cuboctahedra, faces with seven equivalent Mg(1)Mg4Cd8 cuboctahedra, and faces with seven equivalent Cd(1)Mg3Cd9 cuboctahedra. In the second Cd site, Cd(2) is bonded to five equivalent Mg(1), three equivalent Cd(2), and four equivalent Cd(1) atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with six equivalent Mg(1)Mg4Cd8 cuboctahedra, corners with six equivalent Cd(1)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with four equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with five equivalent Mg(1)Mg4Cd8 cuboctahedra, edges with nine equivalent Cd(1)Mg3Cd9 cuboctahedra, faces with six equivalent Cd(1)Mg3Cd9 cuboctahedra, faces with six equivalent Cd(2)Mg5Cd7 cuboctahedra, and faces with eight equivalent Mg(1)Mg4Cd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   6.053
_cell_length_c   7.493
_cell_angle_alpha   72.040
_cell_angle_beta   72.040
_cell_angle_gamma   29.392
_symmetry_Int_Tables_number   1
_cell_volume   127.710
_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
  Mg  Mg0  1  0.808  0.808  0.642  1.0
  Mg  Mg1  1  0.192  0.192  0.358  1.0
  Cd  Cd2  1  0.138  0.138  0.978  1.0
  Cd  Cd3  1  0.534  0.534  0.690  1.0
  Cd  Cd4  1  0.466  0.466  0.310  1.0
  Cd  Cd5  1  0.862  0.862  0.022  1.0
[/CIF]
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The material described by MgCd2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to four equivalent Mg(1), three equivalent Cd(1), and five equivalent Cd(2) atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent Mg(1)Mg4Cd8 cuboctahedra, corners with six equivalent Cd(1)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with five equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with six equivalent Mg(1)Mg4Cd8 cuboctahedra, edges with seven equivalent Cd(1)Mg3Cd9 cuboctahedra, faces with five equivalent Mg(1)Mg4Cd8 cuboctahedra, faces with seven equivalent Cd(1)Mg3Cd9 cuboctahedra, and faces with eight equivalent Cd(2)Mg5Cd7 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Mg(1), four equivalent Cd(2), and five equivalent Cd(1) atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent Mg(1)Mg4Cd8 cuboctahedra, corners with six equivalent Cd(1)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with two equivalent Cd(1)Mg3Cd9 cuboctahedra, edges with seven equivalent Mg(1)Mg4Cd8 cuboctahedra, edges with nine equivalent Cd(2)Mg5Cd7 cuboctahedra, faces with six equivalent Cd(2)Mg5Cd7 cuboctahedra, faces with seven equivalent Mg(1)Mg4Cd8 cuboctahedra, and faces with seven equivalent Cd(1)Mg3Cd9 cuboctahedra. In the second Cd site, Cd(2) is bonded to five equivalent Mg(1), three equivalent Cd(2), and four equivalent Cd(1) atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with six equivalent Mg(1)Mg4Cd8 cuboctahedra, corners with six equivalent Cd(1)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with four equivalent Cd(2)Mg5Cd7 cuboctahedra, edges with five equivalent Mg(1)Mg4Cd8 cuboctahedra, edges with nine equivalent Cd(1)Mg3Cd9 cuboctahedra, faces with six equivalent Cd(1)Mg3Cd9 cuboctahedra, faces with six equivalent Cd(2)Mg5Cd7 cuboctahedra, and faces with eight equivalent Mg(1)Mg4Cd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   6.053
_cell_length_c   7.493
_cell_angle_alpha   72.040
_cell_angle_beta   72.040
_cell_angle_gamma   29.392
_symmetry_Int_Tables_number   1
_cell_volume   127.710
_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
  Mg  Mg0  1  0.808  0.808  0.642  1.0
  Mg  Mg1  1  0.192  0.192  0.358  1.0
  Cd  Cd2  1  0.138  0.138  0.978  1.0
  Cd  Cd3  1  0.534  0.534  0.690  1.0
  Cd  Cd4  1  0.466  0.466  0.310  1.0
  Cd  Cd5  1  0.862  0.862  0.022  1.0
[/CIF]
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