The material described by MgMn4ZnO8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mn(3), two equivalent Mn(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form a mixture of edge and corner-sharing OMgMn3Zn square pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_MgMn4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   6.258
_cell_length_c   6.038
_cell_angle_alpha   60.813
_cell_angle_beta   59.638
_cell_angle_gamma   60.814
_symmetry_Int_Tables_number   1
_cell_volume   162.815
_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  1.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  1.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  1.000  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.748  0.299  0.748  1.0
  O  O7  1  0.222  0.284  0.726  1.0
  O  O8  1  0.252  0.701  0.252  1.0
  O  O9  1  0.726  0.284  0.222  1.0
  O  O10  1  0.245  0.301  0.245  1.0
  O  O11  1  0.755  0.699  0.755  1.0
  O  O12  1  0.274  0.716  0.778  1.0
  O  O13  1  0.778  0.716  0.274  1.0
[/CIF]
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The material described by MgMn4ZnO8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mn(3), two equivalent Mn(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form a mixture of edge and corner-sharing OMgMn3Zn square pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_MgMn4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   6.258
_cell_length_c   6.038
_cell_angle_alpha   60.813
_cell_angle_beta   59.638
_cell_angle_gamma   60.814
_symmetry_Int_Tables_number   1
_cell_volume   162.815
_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  1.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  1.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  1.000  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.748  0.299  0.748  1.0
  O  O7  1  0.222  0.284  0.726  1.0
  O  O8  1  0.252  0.701  0.252  1.0
  O  O9  1  0.726  0.284  0.222  1.0
  O  O10  1  0.245  0.301  0.245  1.0
  O  O11  1  0.755  0.699  0.755  1.0
  O  O12  1  0.274  0.716  0.778  1.0
  O  O13  1  0.778  0.716  0.274  1.0
[/CIF]
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