The crystal structure described by Mn3Zn2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. 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 corners with six equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Zn(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with six equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 53-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMn2Zn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.630
_cell_length_c   4.905
_cell_angle_alpha   79.768
_cell_angle_beta   79.768
_cell_angle_gamma   60.530
_symmetry_Int_Tables_number   1
_cell_volume   132.464
_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
  Mn  Mn1  1  0.745  0.255  0.500  1.0
  Mn  Mn2  1  0.255  0.745  0.500  1.0
  Zn  Zn3  1  0.292  0.292  0.101  1.0
  Zn  Zn4  1  0.708  0.708  0.899  1.0
  O  O5  1  0.606  0.606  0.598  1.0
  O  O6  1  0.394  0.394  0.402  1.0
  O  O7  1  0.101  0.101  0.630  1.0
  O  O8  1  0.899  0.899  0.370  1.0
  O  O9  1  0.113  0.658  0.866  1.0
  O  O10  1  0.658  0.113  0.866  1.0
  O  O11  1  0.342  0.887  0.134  1.0
  O  O12  1  0.887  0.342  0.134  1.0
[/CIF]
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The crystal structure described by Mn3Zn2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. 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 corners with six equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Zn(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with six equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 53-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMn2Zn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.630
_cell_length_c   4.905
_cell_angle_alpha   79.768
_cell_angle_beta   79.768
_cell_angle_gamma   60.530
_symmetry_Int_Tables_number   1
_cell_volume   132.464
_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
  Mn  Mn1  1  0.745  0.255  0.500  1.0
  Mn  Mn2  1  0.255  0.745  0.500  1.0
  Zn  Zn3  1  0.292  0.292  0.101  1.0
  Zn  Zn4  1  0.708  0.708  0.899  1.0
  O  O5  1  0.606  0.606  0.598  1.0
  O  O6  1  0.394  0.394  0.402  1.0
  O  O7  1  0.101  0.101  0.630  1.0
  O  O8  1  0.899  0.899  0.370  1.0
  O  O9  1  0.113  0.658  0.866  1.0
  O  O10  1  0.658  0.113  0.866  1.0
  O  O11  1  0.342  0.887  0.134  1.0
  O  O12  1  0.887  0.342  0.134  1.0
[/CIF]
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