The structure described by MgZn3O4 is Chalcopyrite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra, and corners with four equivalent Zn(1)O4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra, and corners with four equivalent Mg(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(3)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zn(3), and two equivalent Zn(2) atoms to form OMgZn3 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with three equivalent O(3)Mg2Zn2 tetrahedra, corners with three equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(2)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Zn(1), one Zn(2), and two equivalent Zn(3) atoms to form OZn4 tetrahedra that share corners with two equivalent O(2)Zn4 tetrahedra, corners with three equivalent O(3)Mg2Zn2 tetrahedra, corners with three equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(1)MgZn3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one Zn(1), and one Zn(3) atom to form OMg2Zn2 tetrahedra that share corners with two equivalent O(3)Mg2Zn2 tetrahedra, corners with three equivalent O(1)MgZn3 tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with four equivalent O(4)MgZn3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Zn(2), and two equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with two equivalent O(4)MgZn3 tetrahedra, corners with three equivalent O(1)MgZn3 tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with four equivalent O(3)Mg2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   5.616
_cell_angle_alpha   62.668
_cell_angle_beta   62.668
_cell_angle_gamma   30.837
_symmetry_Int_Tables_number   1
_cell_volume   94.810
_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  0.749  0.749  0.583  1.0
  Zn  Zn1  1  0.249  0.249  0.086  1.0
  Zn  Zn2  1  0.501  0.501  0.168  1.0
  Zn  Zn3  1  0.000  0.000  0.665  1.0
  O  O4  1  0.939  0.939  0.394  1.0
  O  O5  1  0.442  0.442  0.892  1.0
  O  O6  1  0.191  0.191  0.477  1.0
  O  O7  1  0.692  0.692  0.974  1.0
[/CIF]
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The structure described by MgZn3O4 is Chalcopyrite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra, and corners with four equivalent Zn(1)O4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra, and corners with four equivalent Mg(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(3)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zn(3), and two equivalent Zn(2) atoms to form OMgZn3 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with three equivalent O(3)Mg2Zn2 tetrahedra, corners with three equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(2)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Zn(1), one Zn(2), and two equivalent Zn(3) atoms to form OZn4 tetrahedra that share corners with two equivalent O(2)Zn4 tetrahedra, corners with three equivalent O(3)Mg2Zn2 tetrahedra, corners with three equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(1)MgZn3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1), one Zn(1), and one Zn(3) atom to form OMg2Zn2 tetrahedra that share corners with two equivalent O(3)Mg2Zn2 tetrahedra, corners with three equivalent O(1)MgZn3 tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with four equivalent O(4)MgZn3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Zn(2), and two equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with two equivalent O(4)MgZn3 tetrahedra, corners with three equivalent O(1)MgZn3 tetrahedra, corners with three equivalent O(2)Zn4 tetrahedra, and corners with four equivalent O(3)Mg2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   5.616
_cell_angle_alpha   62.668
_cell_angle_beta   62.668
_cell_angle_gamma   30.837
_symmetry_Int_Tables_number   1
_cell_volume   94.810
_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  0.749  0.749  0.583  1.0
  Zn  Zn1  1  0.249  0.249  0.086  1.0
  Zn  Zn2  1  0.501  0.501  0.168  1.0
  Zn  Zn3  1  0.000  0.000  0.665  1.0
  O  O4  1  0.939  0.939  0.394  1.0
  O  O5  1  0.442  0.442  0.892  1.0
  O  O6  1  0.191  0.191  0.477  1.0
  O  O7  1  0.692  0.692  0.974  1.0
[/CIF]
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