The material described by MgCd2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to ten Cd(1,1,1) atoms to form a mixture of distorted corner, face, and edge-sharing MgCd10 cuboctahedra. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 12-coordinate geometry to five equivalent Mg(1) and seven Cd(1,1) atoms. In the second Cd site, Cd(1) is bonded in a 12-coordinate geometry to five equivalent Mg(1) and seven Cd(1,1) atoms. In the third Cd site, Cd(1) is bonded in a 12-coordinate geometry to five equivalent Mg(1) and seven Cd(1,1,1) atoms. is represented by the CIF file [CIF]
data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.249
_cell_length_b   5.249
_cell_length_c   6.276
_cell_angle_alpha   63.000
_cell_angle_beta   63.000
_cell_angle_gamma   59.494
_symmetry_Int_Tables_number   1
_cell_volume   126.973
_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  0.085  0.915  0.250  1.0
  Mg  Mg1  1  0.915  0.085  0.750  1.0
  Cd  Cd2  1  0.247  0.422  0.740  1.0
  Cd  Cd3  1  0.578  0.753  0.760  1.0
  Cd  Cd4  1  0.422  0.247  0.240  1.0
  Cd  Cd5  1  0.753  0.578  0.260  1.0
[/CIF]
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The material described by MgCd2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to ten Cd(1,1,1) atoms to form a mixture of distorted corner, face, and edge-sharing MgCd10 cuboctahedra. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 12-coordinate geometry to five equivalent Mg(1) and seven Cd(1,1) atoms. In the second Cd site, Cd(1) is bonded in a 12-coordinate geometry to five equivalent Mg(1) and seven Cd(1,1) atoms. In the third Cd site, Cd(1) is bonded in a 12-coordinate geometry to five equivalent Mg(1) and seven Cd(1,1,1) atoms. is represented by the CIF file [CIF]
data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.249
_cell_length_b   5.249
_cell_length_c   6.276
_cell_angle_alpha   63.000
_cell_angle_beta   63.000
_cell_angle_gamma   59.494
_symmetry_Int_Tables_number   1
_cell_volume   126.973
_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  0.085  0.915  0.250  1.0
  Mg  Mg1  1  0.915  0.085  0.750  1.0
  Cd  Cd2  1  0.247  0.422  0.740  1.0
  Cd  Cd3  1  0.578  0.753  0.760  1.0
  Cd  Cd4  1  0.422  0.247  0.240  1.0
  Cd  Cd5  1  0.753  0.578  0.260  1.0
[/CIF]
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