The material structure described by MgCd2 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(4), and three equivalent Cd(2) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Cd(1), two equivalent Cd(2), two equivalent Cd(4), and three equivalent Cd(3) atoms. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent Mg(1), and three equivalent Cd(4) atoms. In the second Cd site, Cd(2) is bonded in a 5-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), and one Cd(4) atom. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Mg(2), and two equivalent Cd(4) atoms. In the fourth Cd site, Cd(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Cd(2), two equivalent Cd(3), two equivalent Cd(4), and three equivalent Cd(1) atoms to form a mixture of distorted face and corner-sharing CdMg4Cd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   5.769
_cell_length_c   7.188
_cell_angle_alpha   78.318
_cell_angle_beta   78.318
_cell_angle_gamma   33.319
_symmetry_Int_Tables_number   1
_cell_volume   128.435
_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  0.617  0.617  0.271  1.0
  Mg  Mg1  1  0.942  0.942  0.613  1.0
  Cd  Cd2  1  0.999  0.999  0.003  1.0
  Cd  Cd3  1  0.336  0.336  0.337  1.0
  Cd  Cd4  1  0.663  0.663  0.665  1.0
  Cd  Cd5  1  0.277  0.277  0.945  1.0
[/CIF]
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The material structure described by MgCd2 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(4), and three equivalent Cd(2) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Cd(1), two equivalent Cd(2), two equivalent Cd(4), and three equivalent Cd(3) atoms. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent Mg(1), and three equivalent Cd(4) atoms. In the second Cd site, Cd(2) is bonded in a 5-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), and one Cd(4) atom. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Mg(2), and two equivalent Cd(4) atoms. In the fourth Cd site, Cd(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Cd(2), two equivalent Cd(3), two equivalent Cd(4), and three equivalent Cd(1) atoms to form a mixture of distorted face and corner-sharing CdMg4Cd8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.769
_cell_length_b   5.769
_cell_length_c   7.188
_cell_angle_alpha   78.318
_cell_angle_beta   78.318
_cell_angle_gamma   33.319
_symmetry_Int_Tables_number   1
_cell_volume   128.435
_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  0.617  0.617  0.271  1.0
  Mg  Mg1  1  0.942  0.942  0.613  1.0
  Cd  Cd2  1  0.999  0.999  0.003  1.0
  Cd  Cd3  1  0.336  0.336  0.337  1.0
  Cd  Cd4  1  0.663  0.663  0.665  1.0
  Cd  Cd5  1  0.277  0.277  0.945  1.0
[/CIF]
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