The crystal structure described by MgZnO2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Mg(1) is bonded to one O(1) and three equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Mg(1)O4 tetrahedra and corners with six equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with six equivalent Mg(1)O4 tetrahedra and corners with six equivalent Zn(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with six equivalent O(2)Mg3Zn tetrahedra and corners with six equivalent O(1)MgZn3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Zn(1) atom to form OMg3Zn tetrahedra that share corners with six equivalent O(2)Mg3Zn tetrahedra and corners with six equivalent O(1)MgZn3 tetrahedra. is represented by the CIF card [CIF]
data_MgZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.306
_cell_length_b   3.306
_cell_length_c   5.209
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   49.297
_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  0.333  0.667  0.497  1.0
  Zn  Zn1  1  0.667  0.333  0.003  1.0
  O  O2  1  0.333  0.667  0.883  1.0
  O  O3  1  0.667  0.333  0.389  1.0
[/CIF]
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The crystal structure described by MgZnO2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. Mg(1) is bonded to one O(1) and three equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Mg(1)O4 tetrahedra and corners with six equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with six equivalent Mg(1)O4 tetrahedra and corners with six equivalent Zn(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with six equivalent O(2)Mg3Zn tetrahedra and corners with six equivalent O(1)MgZn3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Zn(1) atom to form OMg3Zn tetrahedra that share corners with six equivalent O(2)Mg3Zn tetrahedra and corners with six equivalent O(1)MgZn3 tetrahedra. is represented by the CIF card [CIF]
data_MgZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.306
_cell_length_b   3.306
_cell_length_c   5.209
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   49.297
_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  0.333  0.667  0.497  1.0
  Zn  Zn1  1  0.667  0.333  0.003  1.0
  O  O2  1  0.333  0.667  0.883  1.0
  O  O3  1  0.667  0.333  0.389  1.0
[/CIF]
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