The crystal structure described by MgNi3Zn2O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. Zn(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ni(2), and one Zn(1) atom to form a mixture of corner and edge-sharing OMgZnNi2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_MgZn2Ni3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.786
_cell_length_c   6.007
_cell_angle_alpha   118.791
_cell_angle_beta   90.258
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.023
_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  0.500  0.500  0.000  1.0
  Zn  Zn1  1  0.734  0.763  0.526  1.0
  Zn  Zn2  1  0.266  0.237  0.474  1.0
  Ni  Ni3  1  0.500  1.000  0.000  1.0
  Ni  Ni4  1  1.000  0.753  0.000  1.0
  Ni  Ni5  1  1.000  0.247  0.000  1.0
  O  O6  1  0.152  0.406  0.811  1.0
  O  O7  1  0.848  0.594  0.189  1.0
  O  O8  1  0.170  0.911  0.822  1.0
  O  O9  1  0.830  0.089  0.178  1.0
  O  O10  1  0.353  0.335  0.213  1.0
  O  O11  1  0.353  0.878  0.213  1.0
  O  O12  1  0.647  0.122  0.787  1.0
  O  O13  1  0.647  0.665  0.787  1.0
[/CIF]
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The crystal structure described by MgNi3Zn2O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. Zn(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ni(2), and one Zn(1) atom to form a mixture of corner and edge-sharing OMgZnNi2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_MgZn2Ni3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.786
_cell_length_c   6.007
_cell_angle_alpha   118.791
_cell_angle_beta   90.258
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.023
_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  0.500  0.500  0.000  1.0
  Zn  Zn1  1  0.734  0.763  0.526  1.0
  Zn  Zn2  1  0.266  0.237  0.474  1.0
  Ni  Ni3  1  0.500  1.000  0.000  1.0
  Ni  Ni4  1  1.000  0.753  0.000  1.0
  Ni  Ni5  1  1.000  0.247  0.000  1.0
  O  O6  1  0.152  0.406  0.811  1.0
  O  O7  1  0.848  0.594  0.189  1.0
  O  O8  1  0.170  0.911  0.822  1.0
  O  O9  1  0.830  0.089  0.178  1.0
  O  O10  1  0.353  0.335  0.213  1.0
  O  O11  1  0.353  0.878  0.213  1.0
  O  O12  1  0.647  0.122  0.787  1.0
  O  O13  1  0.647  0.665  0.787  1.0
[/CIF]
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