The material structure described by Mn4Zn3(NiO6)2 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(3), one Ni(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Ni(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(3), two equivalent Ni(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Ni(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(2), one Ni(1), and one Zn(1) atom to form distorted corner-sharing OMn2ZnNi trigonal pyramids. is represented by the CIF file [CIF]
data_Mn4Zn3(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.007
_cell_length_c   13.245
_cell_angle_alpha   77.504
_cell_angle_beta   77.504
_cell_angle_gamma   90.364
_symmetry_Int_Tables_number   1
_cell_volume   454.813
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.160  0.168  0.166  1.0
  Mn  Mn4  1  0.840  0.832  0.834  1.0
  Mn  Mn5  1  0.168  0.160  0.666  1.0
  Mn  Mn6  1  0.832  0.840  0.334  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Zn  Zn8  1  0.301  0.023  0.416  1.0
  Zn  Zn9  1  0.977  0.699  0.084  1.0
  Zn  Zn10  1  0.634  0.366  0.750  1.0
  Zn  Zn11  1  0.023  0.301  0.916  1.0
  Zn  Zn12  1  0.699  0.977  0.584  1.0
  Zn  Zn13  1  0.366  0.634  0.250  1.0
  Ni  Ni14  1  0.167  0.664  0.668  1.0
  Ni  Ni15  1  0.833  0.336  0.332  1.0
  Ni  Ni16  1  0.664  0.167  0.168  1.0
  Ni  Ni17  1  0.336  0.833  0.832  1.0
  O  O18  1  0.076  0.072  0.823  1.0
  O  O19  1  0.755  0.763  0.487  1.0
  O  O20  1  0.400  0.396  0.163  1.0
  O  O21  1  0.928  0.924  0.677  1.0
  O  O22  1  0.604  0.600  0.337  1.0
  O  O23  1  0.237  0.245  0.013  1.0
  O  O24  1  0.385  0.926  0.672  1.0
  O  O25  1  0.052  0.595  0.343  1.0
  O  O26  1  0.705  0.251  0.004  1.0
  O  O27  1  0.074  0.615  0.828  1.0
  O  O28  1  0.749  0.295  0.496  1.0
  O  O29  1  0.405  0.948  0.157  1.0
  O  O30  1  0.245  0.237  0.513  1.0
  O  O31  1  0.924  0.928  0.177  1.0
  O  O32  1  0.600  0.604  0.837  1.0
  O  O33  1  0.396  0.400  0.663  1.0
  O  O34  1  0.072  0.076  0.323  1.0
  O  O35  1  0.763  0.755  0.987  1.0
  O  O36  1  0.948  0.405  0.657  1.0
  O  O37  1  0.615  0.074  0.328  1.0
  O  O38  1  0.295  0.749  0.996  1.0
  O  O39  1  0.251  0.705  0.504  1.0
  O  O40  1  0.926  0.385  0.172  1.0
  O  O41  1  0.595  0.052  0.843  1.0
[/CIF]
.
The material structure described by Mn4Zn3(NiO6)2 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(3), one Ni(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Ni(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(3), two equivalent Ni(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Ni(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(2), one Ni(1), and one Zn(1) atom to form distorted corner-sharing OMn2ZnNi trigonal pyramids. is represented by the CIF file [CIF]
data_Mn4Zn3(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.007
_cell_length_c   13.245
_cell_angle_alpha   77.504
_cell_angle_beta   77.504
_cell_angle_gamma   90.364
_symmetry_Int_Tables_number   1
_cell_volume   454.813
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.160  0.168  0.166  1.0
  Mn  Mn4  1  0.840  0.832  0.834  1.0
  Mn  Mn5  1  0.168  0.160  0.666  1.0
  Mn  Mn6  1  0.832  0.840  0.334  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Zn  Zn8  1  0.301  0.023  0.416  1.0
  Zn  Zn9  1  0.977  0.699  0.084  1.0
  Zn  Zn10  1  0.634  0.366  0.750  1.0
  Zn  Zn11  1  0.023  0.301  0.916  1.0
  Zn  Zn12  1  0.699  0.977  0.584  1.0
  Zn  Zn13  1  0.366  0.634  0.250  1.0
  Ni  Ni14  1  0.167  0.664  0.668  1.0
  Ni  Ni15  1  0.833  0.336  0.332  1.0
  Ni  Ni16  1  0.664  0.167  0.168  1.0
  Ni  Ni17  1  0.336  0.833  0.832  1.0
  O  O18  1  0.076  0.072  0.823  1.0
  O  O19  1  0.755  0.763  0.487  1.0
  O  O20  1  0.400  0.396  0.163  1.0
  O  O21  1  0.928  0.924  0.677  1.0
  O  O22  1  0.604  0.600  0.337  1.0
  O  O23  1  0.237  0.245  0.013  1.0
  O  O24  1  0.385  0.926  0.672  1.0
  O  O25  1  0.052  0.595  0.343  1.0
  O  O26  1  0.705  0.251  0.004  1.0
  O  O27  1  0.074  0.615  0.828  1.0
  O  O28  1  0.749  0.295  0.496  1.0
  O  O29  1  0.405  0.948  0.157  1.0
  O  O30  1  0.245  0.237  0.513  1.0
  O  O31  1  0.924  0.928  0.177  1.0
  O  O32  1  0.600  0.604  0.837  1.0
  O  O33  1  0.396  0.400  0.663  1.0
  O  O34  1  0.072  0.076  0.323  1.0
  O  O35  1  0.763  0.755  0.987  1.0
  O  O36  1  0.948  0.405  0.657  1.0
  O  O37  1  0.615  0.074  0.328  1.0
  O  O38  1  0.295  0.749  0.996  1.0
  O  O39  1  0.251  0.705  0.504  1.0
  O  O40  1  0.926  0.385  0.172  1.0
  O  O41  1  0.595  0.052  0.843  1.0
[/CIF]
.