The compound described by MgZn2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with nine equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Zn(1) atoms to form OMg3Zn3 octahedra that share corners with three equivalent O(1)Mg3Zn3 octahedra, corners with three equivalent O(2)Zn6 octahedra, edges with three equivalent O(2)Zn6 octahedra, and edges with nine equivalent O(1)Mg3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Zn(1) atoms to form OZn6 octahedra that share corners with six equivalent O(1)Mg3Zn3 octahedra, edges with six equivalent O(1)Mg3Zn3 octahedra, and edges with six equivalent O(2)Zn6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MgZn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.053
_cell_length_b   3.053
_cell_length_c   7.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   60.138
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.333  0.667  0.668  1.0
  Zn  Zn2  1  0.667  0.333  0.332  1.0
  O  O3  1  0.333  0.667  0.161  1.0
  O  O4  1  0.667  0.333  0.839  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by MgZn2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with nine equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Zn(1) atoms to form OMg3Zn3 octahedra that share corners with three equivalent O(1)Mg3Zn3 octahedra, corners with three equivalent O(2)Zn6 octahedra, edges with three equivalent O(2)Zn6 octahedra, and edges with nine equivalent O(1)Mg3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Zn(1) atoms to form OZn6 octahedra that share corners with six equivalent O(1)Mg3Zn3 octahedra, edges with six equivalent O(1)Mg3Zn3 octahedra, and edges with six equivalent O(2)Zn6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MgZn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.053
_cell_length_b   3.053
_cell_length_c   7.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   60.138
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.333  0.667  0.668  1.0
  Zn  Zn2  1  0.667  0.333  0.332  1.0
  O  O3  1  0.333  0.667  0.161  1.0
  O  O4  1  0.667  0.333  0.839  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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