The material described by MgCd2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(4)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Cd(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with three equivalent Cd(1)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cd(1)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form distorted CdO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(2) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Cd(1) atom. In the third O site, O(3) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(4), and one Cd(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Cd(2) atom. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(3), one Fe(4), and one Cd(2) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of distorted corner and edge-sharing OCdFe3 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Fe(4), and one Cd(2) atom. is represented by the CIF card [CIF]
data_MgCd2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   6.443
_cell_length_c   6.713
_cell_angle_alpha   55.132
_cell_angle_beta   56.661
_cell_angle_gamma   59.028
_symmetry_Int_Tables_number   1
_cell_volume   186.262
_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  0.815  0.130  0.033  1.0
  Cd  Cd1  1  0.167  0.142  0.146  1.0
  Cd  Cd2  1  0.925  0.824  0.793  1.0
  Fe  Fe3  1  0.474  0.007  0.539  1.0
  Fe  Fe4  1  0.004  0.491  0.510  1.0
  Fe  Fe5  1  0.424  0.581  0.010  1.0
  Fe  Fe6  1  0.560  0.518  0.458  1.0
  O  O7  1  0.731  0.704  0.724  1.0
  O  O8  1  0.158  0.205  0.788  1.0
  O  O9  1  0.271  0.696  0.312  1.0
  O  O10  1  0.718  0.262  0.294  1.0
  O  O11  1  0.755  0.263  0.708  1.0
  O  O12  1  0.325  0.693  0.709  1.0
  O  O13  1  0.272  0.283  0.284  1.0
  O  O14  1  0.786  0.754  0.244  1.0
[/CIF]
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The material described by MgCd2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(4)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Cd(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with three equivalent Cd(1)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cd(1)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form distorted CdO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(2) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Cd(1) atom. In the third O site, O(3) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(4), and one Cd(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Cd(2) atom. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(3), one Fe(4), and one Cd(2) atom to form a mixture of corner and edge-sharing OCdFe3 tetrahedra. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of distorted corner and edge-sharing OCdFe3 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Fe(4), and one Cd(2) atom. is represented by the CIF card [CIF]
data_MgCd2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   6.443
_cell_length_c   6.713
_cell_angle_alpha   55.132
_cell_angle_beta   56.661
_cell_angle_gamma   59.028
_symmetry_Int_Tables_number   1
_cell_volume   186.262
_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  0.815  0.130  0.033  1.0
  Cd  Cd1  1  0.167  0.142  0.146  1.0
  Cd  Cd2  1  0.925  0.824  0.793  1.0
  Fe  Fe3  1  0.474  0.007  0.539  1.0
  Fe  Fe4  1  0.004  0.491  0.510  1.0
  Fe  Fe5  1  0.424  0.581  0.010  1.0
  Fe  Fe6  1  0.560  0.518  0.458  1.0
  O  O7  1  0.731  0.704  0.724  1.0
  O  O8  1  0.158  0.205  0.788  1.0
  O  O9  1  0.271  0.696  0.312  1.0
  O  O10  1  0.718  0.262  0.294  1.0
  O  O11  1  0.755  0.263  0.708  1.0
  O  O12  1  0.325  0.693  0.709  1.0
  O  O13  1  0.272  0.283  0.284  1.0
  O  O14  1  0.786  0.754  0.244  1.0
[/CIF]
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