The structure described by MgNi3Zn2O8 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with six equivalent Zn(1)O4 tetrahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the second Ni site, Ni(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with five equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. Zn(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with five equivalent Ni(2)O6 octahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-84°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Ni(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), and two equivalent Ni(2) atoms to form OMgNi3 trigonal pyramids that share corners with two equivalent O(4)Zn2Ni2 tetrahedra, corners with two equivalent O(2)MgNi3 trigonal pyramids,  an edgeedge with one O(4)Zn2Ni2 tetrahedra, and  an edgeedge with one O(2)MgNi3 trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), one Ni(2), and two equivalent Zn(1) atoms to form distorted OZn2Ni2 tetrahedra that share  a cornercorner with one O(4)Zn2Ni2 tetrahedra, corners with two equivalent O(2)MgNi3 trigonal pyramids,  an edgeedge with one O(4)Zn2Ni2 tetrahedra, and  an edgeedge with one O(2)MgNi3 trigonal pyramid. is represented by the CIF card [CIF]
data_MgZn2Ni3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   5.892
_cell_length_c   5.806
_cell_angle_alpha   122.829
_cell_angle_beta   93.032
_cell_angle_gamma   93.726
_symmetry_Int_Tables_number   1
_cell_volume   144.989
_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  0.500  0.500  1.0
  Zn  Zn1  1  0.535  0.707  0.357  1.0
  Zn  Zn2  1  0.465  0.293  0.643  1.0
  Ni  Ni3  1  0.500  1.000  0.000  1.0
  Ni  Ni4  1  0.007  0.767  0.035  1.0
  Ni  Ni5  1  0.993  0.233  0.965  1.0
  O  O6  1  0.120  0.390  0.774  1.0
  O  O7  1  0.880  0.610  0.226  1.0
  O  O8  1  0.159  0.876  0.806  1.0
  O  O9  1  0.841  0.124  0.194  1.0
  O  O10  1  0.313  0.372  0.234  1.0
  O  O11  1  0.353  0.933  0.258  1.0
  O  O12  1  0.647  0.067  0.742  1.0
  O  O13  1  0.687  0.628  0.766  1.0
[/CIF]
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The structure described by MgNi3Zn2O8 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with six equivalent Zn(1)O4 tetrahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the second Ni site, Ni(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with five equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. Zn(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with five equivalent Ni(2)O6 octahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-84°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Ni(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), and two equivalent Ni(2) atoms to form OMgNi3 trigonal pyramids that share corners with two equivalent O(4)Zn2Ni2 tetrahedra, corners with two equivalent O(2)MgNi3 trigonal pyramids,  an edgeedge with one O(4)Zn2Ni2 tetrahedra, and  an edgeedge with one O(2)MgNi3 trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), one Ni(2), and two equivalent Zn(1) atoms to form distorted OZn2Ni2 tetrahedra that share  a cornercorner with one O(4)Zn2Ni2 tetrahedra, corners with two equivalent O(2)MgNi3 trigonal pyramids,  an edgeedge with one O(4)Zn2Ni2 tetrahedra, and  an edgeedge with one O(2)MgNi3 trigonal pyramid. is represented by the CIF card [CIF]
data_MgZn2Ni3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   5.892
_cell_length_c   5.806
_cell_angle_alpha   122.829
_cell_angle_beta   93.032
_cell_angle_gamma   93.726
_symmetry_Int_Tables_number   1
_cell_volume   144.989
_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  0.500  0.500  1.0
  Zn  Zn1  1  0.535  0.707  0.357  1.0
  Zn  Zn2  1  0.465  0.293  0.643  1.0
  Ni  Ni3  1  0.500  1.000  0.000  1.0
  Ni  Ni4  1  0.007  0.767  0.035  1.0
  Ni  Ni5  1  0.993  0.233  0.965  1.0
  O  O6  1  0.120  0.390  0.774  1.0
  O  O7  1  0.880  0.610  0.226  1.0
  O  O8  1  0.159  0.876  0.806  1.0
  O  O9  1  0.841  0.124  0.194  1.0
  O  O10  1  0.313  0.372  0.234  1.0
  O  O11  1  0.353  0.933  0.258  1.0
  O  O12  1  0.647  0.067  0.742  1.0
  O  O13  1  0.687  0.628  0.766  1.0
[/CIF]
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