The material structure described by MnNi7O8 is Caswellsilverite-like structured and crystallizes in the cubic Fm-3m space group. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra and edges with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(1)Ni6 octahedra and edges with twelve equivalent O(2)MnNi5 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Mn(1), one Ni(2), and four equivalent Ni(1) atoms to form OMnNi5 octahedra that share corners with six equivalent O(2)MnNi5 octahedra, edges with four equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)MnNi5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(2) is bonded to one Mn(1), one Ni(2), and four equivalent Ni(1) atoms to form OMnNi5 octahedra that share corners with six equivalent O(2)MnNi5 octahedra, edges with four equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)MnNi5 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNi7O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.028
_cell_length_c   6.028
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   154.882
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.750  0.750  0.750  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.745  0.745  0.255  1.0
  O  O11  1  0.255  0.745  0.255  1.0
  O  O12  1  0.745  0.255  0.255  1.0
  O  O13  1  0.255  0.255  0.745  1.0
  O  O14  1  0.745  0.255  0.745  1.0
  O  O15  1  0.255  0.745  0.745  1.0
[/CIF]
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The material structure described by MnNi7O8 is Caswellsilverite-like structured and crystallizes in the cubic Fm-3m space group. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra and edges with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(1)Ni6 octahedra and edges with twelve equivalent O(2)MnNi5 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Mn(1), one Ni(2), and four equivalent Ni(1) atoms to form OMnNi5 octahedra that share corners with six equivalent O(2)MnNi5 octahedra, edges with four equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)MnNi5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(2) is bonded to one Mn(1), one Ni(2), and four equivalent Ni(1) atoms to form OMnNi5 octahedra that share corners with six equivalent O(2)MnNi5 octahedra, edges with four equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)MnNi5 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNi7O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.028
_cell_length_c   6.028
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   154.882
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.750  0.750  0.750  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.745  0.745  0.255  1.0
  O  O11  1  0.255  0.745  0.255  1.0
  O  O12  1  0.745  0.255  0.255  1.0
  O  O13  1  0.255  0.255  0.745  1.0
  O  O14  1  0.745  0.255  0.745  1.0
  O  O15  1  0.255  0.745  0.745  1.0
[/CIF]
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