The crystal structure described by MgZn7O8 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. Mg(1) is bonded to one O(1) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with six equivalent Zn(1)O4 tetrahedra and corners with six equivalent Zn(2)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 Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing ZnO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Zn(2) atoms to form OMgZn3 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Zn(3) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the third O site, O(3) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 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(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 tetrahedra. is represented by the CIF file [CIF]
data_MgZn7O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   5.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   189.788
_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  0.499  1.0
  Zn  Zn1  1  0.833  0.665  0.498  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  1.000  0.500  0.000  1.0
  Zn  Zn4  1  0.335  0.167  0.498  1.0
  Zn  Zn5  1  0.833  0.167  0.498  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  1.000  0.000  0.998  1.0
  O  O8  1  0.333  0.667  0.879  1.0
  O  O9  1  0.000  1.000  0.380  1.0
  O  O10  1  0.334  0.167  0.880  1.0
  O  O11  1  0.833  0.167  0.880  1.0
  O  O12  1  0.833  0.666  0.880  1.0
  O  O13  1  0.499  0.501  0.381  1.0
  O  O14  1  0.002  0.501  0.381  1.0
  O  O15  1  0.499  0.998  0.381  1.0
[/CIF]
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The crystal structure described by MgZn7O8 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. Mg(1) is bonded to one O(1) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with six equivalent Zn(1)O4 tetrahedra and corners with six equivalent Zn(2)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 Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing ZnO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Zn(2) atoms to form OMgZn3 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Zn(3) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with six equivalent O(4)MgZn3 tetrahedra and corners with six equivalent O(3)Zn4 tetrahedra. In the third O site, O(3) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with two equivalent O(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 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(1)MgZn3 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with four equivalent O(4)MgZn3 tetrahedra, and corners with four equivalent O(3)Zn4 tetrahedra. is represented by the CIF file [CIF]
data_MgZn7O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   5.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   189.788
_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  0.499  1.0
  Zn  Zn1  1  0.833  0.665  0.498  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  1.000  0.500  0.000  1.0
  Zn  Zn4  1  0.335  0.167  0.498  1.0
  Zn  Zn5  1  0.833  0.167  0.498  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  1.000  0.000  0.998  1.0
  O  O8  1  0.333  0.667  0.879  1.0
  O  O9  1  0.000  1.000  0.380  1.0
  O  O10  1  0.334  0.167  0.880  1.0
  O  O11  1  0.833  0.167  0.880  1.0
  O  O12  1  0.833  0.666  0.880  1.0
  O  O13  1  0.499  0.501  0.381  1.0
  O  O14  1  0.002  0.501  0.381  1.0
  O  O15  1  0.499  0.998  0.381  1.0
[/CIF]
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