The compound described by MgCd2(NiO2)4 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ni(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted NiO5 square pyramids that share corners with two equivalent Cd(2)O4 tetrahedra and edges with four equivalent Ni(1)O5 square pyramids. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cd site, Cd(2) is bonded to four equivalent O(2) atoms to form CdO4 tetrahedra that share corners with eight equivalent Ni(1)O5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ni(1) and one Cd(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ni(1), and one Cd(2) atom to form a mixture of corner and face-sharing OMgCdNi2 tetrahedra. is represented by the CIF card [CIF]
data_MgCd2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   7.086
_cell_length_c   5.915
_cell_angle_alpha   65.346
_cell_angle_beta   89.968
_cell_angle_gamma   114.648
_symmetry_Int_Tables_number   1
_cell_volume   200.185
_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  0.500  1.000  0.500  1.0
  Cd  Cd1  1  1.000  0.000  1.000  1.0
  Cd  Cd2  1  0.750  0.500  0.750  1.0
  Ni  Ni3  1  0.415  0.341  0.330  1.0
  Ni  Ni4  1  0.926  0.340  0.330  1.0
  Ni  Ni5  1  0.330  0.659  0.415  1.0
  Ni  Ni6  1  0.330  0.659  0.926  1.0
  O  O7  1  0.151  0.302  0.122  1.0
  O  O8  1  0.631  0.261  0.158  1.0
  O  O9  1  0.577  0.698  0.151  1.0
  O  O10  1  0.122  0.698  0.151  1.0
  O  O11  1  0.631  0.261  0.581  1.0
  O  O12  1  0.150  0.302  0.577  1.0
  O  O13  1  0.158  0.739  0.631  1.0
  O  O14  1  0.581  0.739  0.631  1.0
[/CIF]
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The compound described by MgCd2(NiO2)4 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ni(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted NiO5 square pyramids that share corners with two equivalent Cd(2)O4 tetrahedra and edges with four equivalent Ni(1)O5 square pyramids. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cd site, Cd(2) is bonded to four equivalent O(2) atoms to form CdO4 tetrahedra that share corners with eight equivalent Ni(1)O5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ni(1) and one Cd(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ni(1), and one Cd(2) atom to form a mixture of corner and face-sharing OMgCdNi2 tetrahedra. is represented by the CIF card [CIF]
data_MgCd2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   7.086
_cell_length_c   5.915
_cell_angle_alpha   65.346
_cell_angle_beta   89.968
_cell_angle_gamma   114.648
_symmetry_Int_Tables_number   1
_cell_volume   200.185
_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  0.500  1.000  0.500  1.0
  Cd  Cd1  1  1.000  0.000  1.000  1.0
  Cd  Cd2  1  0.750  0.500  0.750  1.0
  Ni  Ni3  1  0.415  0.341  0.330  1.0
  Ni  Ni4  1  0.926  0.340  0.330  1.0
  Ni  Ni5  1  0.330  0.659  0.415  1.0
  Ni  Ni6  1  0.330  0.659  0.926  1.0
  O  O7  1  0.151  0.302  0.122  1.0
  O  O8  1  0.631  0.261  0.158  1.0
  O  O9  1  0.577  0.698  0.151  1.0
  O  O10  1  0.122  0.698  0.151  1.0
  O  O11  1  0.631  0.261  0.581  1.0
  O  O12  1  0.150  0.302  0.577  1.0
  O  O13  1  0.158  0.739  0.631  1.0
  O  O14  1  0.581  0.739  0.631  1.0
[/CIF]
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