The material described by MgMn4(NiO4)2 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Mn(1) and four equivalent O(1) atoms to form MgMn4O4 tetrahedra that share corners with four equivalent Ni(2)O4 tetrahedra. Mn(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent O(1) atoms to form NiO4 tetrahedra that share corners with four equivalent Mg(1)Mn4O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mn(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_MgMn4(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   6.395
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   184.899
_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  0.625  0.625  0.625  1.0
  Mn  Mn1  1  0.482  0.054  0.482  1.0
  Mn  Mn2  1  0.054  0.482  0.482  1.0
  Mn  Mn3  1  0.482  0.482  0.054  1.0
  Mn  Mn4  1  0.482  0.482  0.482  1.0
  Ni  Ni5  1  0.125  0.125  0.125  1.0
  Ni  Ni6  1  0.875  0.875  0.875  1.0
  O  O7  1  0.748  0.748  0.748  1.0
  O  O8  1  0.251  0.251  0.746  1.0
  O  O9  1  0.251  0.746  0.251  1.0
  O  O10  1  0.746  0.251  0.251  1.0
  O  O11  1  0.748  0.257  0.748  1.0
  O  O12  1  0.257  0.748  0.748  1.0
  O  O13  1  0.251  0.251  0.251  1.0
  O  O14  1  0.748  0.748  0.257  1.0
[/CIF]
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The material described by MgMn4(NiO4)2 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Mn(1) and four equivalent O(1) atoms to form MgMn4O4 tetrahedra that share corners with four equivalent Ni(2)O4 tetrahedra. Mn(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Ni site, Ni(2) is bonded to four equivalent O(1) atoms to form NiO4 tetrahedra that share corners with four equivalent Mg(1)Mn4O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mn(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_MgMn4(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   6.395
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   184.899
_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  0.625  0.625  0.625  1.0
  Mn  Mn1  1  0.482  0.054  0.482  1.0
  Mn  Mn2  1  0.054  0.482  0.482  1.0
  Mn  Mn3  1  0.482  0.482  0.054  1.0
  Mn  Mn4  1  0.482  0.482  0.482  1.0
  Ni  Ni5  1  0.125  0.125  0.125  1.0
  Ni  Ni6  1  0.875  0.875  0.875  1.0
  O  O7  1  0.748  0.748  0.748  1.0
  O  O8  1  0.251  0.251  0.746  1.0
  O  O9  1  0.251  0.746  0.251  1.0
  O  O10  1  0.746  0.251  0.251  1.0
  O  O11  1  0.748  0.257  0.748  1.0
  O  O12  1  0.257  0.748  0.748  1.0
  O  O13  1  0.251  0.251  0.251  1.0
  O  O14  1  0.748  0.748  0.257  1.0
[/CIF]
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