The material structure described by MgCd2(Cu2O3)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a distorted linear geometry to two equivalent O(3) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one O(3) and two equivalent O(4) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Cu(1) and two equivalent Cd(2) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Cu(1), and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Cu(2), and two equivalent Cd(1) atoms to form distorted OMg2Cd2Cu2 octahedra that share corners with four equivalent O(3)Mg2Cd2Cu2 octahedra and corners with four equivalent O(4)CdCu4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to two equivalent Cu(1), two equivalent Cu(2), and one Cd(2) atom to form distorted OCdCu4 trigonal bipyramids that share corners with two equivalent O(3)Mg2Cd2Cu2 octahedra and corners with five equivalent O(4)CdCu4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 70-86°. is represented by the CIF file [CIF]
data_MgCd2(Cu2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.346
_cell_length_b   9.950
_cell_length_c   3.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.096
_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
  Mg  Mg0  1  0.750  0.250  0.087  1.0
  Cd  Cd1  1  0.250  0.250  0.564  1.0
  Cd  Cd2  1  0.750  0.750  0.452  1.0
  Cu  Cu3  1  0.250  0.561  0.150  1.0
  Cu  Cu4  1  0.250  0.939  0.150  1.0
  Cu  Cu5  1  0.750  0.999  0.681  1.0
  Cu  Cu6  1  0.750  0.501  0.681  1.0
  O  O7  1  0.250  0.750  0.280  1.0
  O  O8  1  0.250  0.121  0.058  1.0
  O  O9  1  0.250  0.379  0.058  1.0
  O  O10  1  0.750  0.250  0.588  1.0
  O  O11  1  0.750  0.542  0.179  1.0
  O  O12  1  0.750  0.958  0.179  1.0
[/CIF]
.
The material structure described by MgCd2(Cu2O3)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a distorted linear geometry to two equivalent O(3) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one O(3) and two equivalent O(4) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Cu(1) and two equivalent Cd(2) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Cu(1), and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Cu(2), and two equivalent Cd(1) atoms to form distorted OMg2Cd2Cu2 octahedra that share corners with four equivalent O(3)Mg2Cd2Cu2 octahedra and corners with four equivalent O(4)CdCu4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to two equivalent Cu(1), two equivalent Cu(2), and one Cd(2) atom to form distorted OCdCu4 trigonal bipyramids that share corners with two equivalent O(3)Mg2Cd2Cu2 octahedra and corners with five equivalent O(4)CdCu4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 70-86°. is represented by the CIF file [CIF]
data_MgCd2(Cu2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.346
_cell_length_b   9.950
_cell_length_c   3.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.096
_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
  Mg  Mg0  1  0.750  0.250  0.087  1.0
  Cd  Cd1  1  0.250  0.250  0.564  1.0
  Cd  Cd2  1  0.750  0.750  0.452  1.0
  Cu  Cu3  1  0.250  0.561  0.150  1.0
  Cu  Cu4  1  0.250  0.939  0.150  1.0
  Cu  Cu5  1  0.750  0.999  0.681  1.0
  Cu  Cu6  1  0.750  0.501  0.681  1.0
  O  O7  1  0.250  0.750  0.280  1.0
  O  O8  1  0.250  0.121  0.058  1.0
  O  O9  1  0.250  0.379  0.058  1.0
  O  O10  1  0.750  0.250  0.588  1.0
  O  O11  1  0.750  0.542  0.179  1.0
  O  O12  1  0.750  0.958  0.179  1.0
[/CIF]
.