The structure described by MnZnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Mn(2)O5 trigonal bipyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Zn(1)O5 trigonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Mn(2)O5 trigonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Mn(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), two equivalent Mn(1), and one Zn(1) atom to form OMn3Zn tetrahedra that share corners with two equivalent O(1)Mn3Zn tetrahedra, corners with four equivalent O(3)Mn2Zn3 trigonal bipyramids, corners with four equivalent O(2)Mn3Zn2 trigonal bipyramids, and  an edgeedge with one O(3)Mn2Zn3 trigonal bipyramid. In the second O site, O(2) is bonded to one Mn(1), two equivalent Mn(2), and two equivalent Zn(2) atoms to form OMn3Zn2 trigonal bipyramids that share corners with four equivalent O(1)Mn3Zn tetrahedra, edges with two equivalent O(3)Mn2Zn3 trigonal bipyramids, and edges with two equivalent O(2)Mn3Zn2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OMn2Zn3 trigonal bipyramids that share corners with four equivalent O(1)Mn3Zn tetrahedra,  an edgeedge with one O(1)Mn3Zn tetrahedra, edges with two equivalent O(3)Mn2Zn3 trigonal bipyramids, and edges with two equivalent O(2)Mn3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mn(2), one Zn(2), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.050
_cell_length_b   8.319
_cell_length_c   8.474
_cell_angle_alpha   86.548
_cell_angle_beta   79.993
_cell_angle_gamma   80.252
_symmetry_Int_Tables_number   1
_cell_volume   208.595
_cell_formula_units_Z   4
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  0.183  0.723  0.917  1.0
  Mn  Mn1  1  0.405  0.912  0.269  1.0
  Mn  Mn2  1  0.595  0.088  0.731  1.0
  Mn  Mn3  1  0.817  0.277  0.083  1.0
  Zn  Zn4  1  0.594  0.586  0.261  1.0
  Zn  Zn5  1  0.406  0.414  0.739  1.0
  Zn  Zn6  1  0.184  0.237  0.397  1.0
  Zn  Zn7  1  0.816  0.763  0.603  1.0
  O  O8  1  0.411  0.242  0.923  1.0
  O  O9  1  0.198  0.898  0.709  1.0
  O  O10  1  0.802  0.102  0.291  1.0
  O  O11  1  0.589  0.758  0.077  1.0
  O  O12  1  0.808  0.582  0.769  1.0
  O  O13  1  0.946  0.738  0.377  1.0
  O  O14  1  0.192  0.418  0.231  1.0
  O  O15  1  0.054  0.262  0.623  1.0
[/CIF]
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The structure described by MnZnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Mn(2)O5 trigonal bipyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Zn(1)O5 trigonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Zn(1)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Mn(2)O5 trigonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5 trigonal bipyramid, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Mn(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), two equivalent Mn(1), and one Zn(1) atom to form OMn3Zn tetrahedra that share corners with two equivalent O(1)Mn3Zn tetrahedra, corners with four equivalent O(3)Mn2Zn3 trigonal bipyramids, corners with four equivalent O(2)Mn3Zn2 trigonal bipyramids, and  an edgeedge with one O(3)Mn2Zn3 trigonal bipyramid. In the second O site, O(2) is bonded to one Mn(1), two equivalent Mn(2), and two equivalent Zn(2) atoms to form OMn3Zn2 trigonal bipyramids that share corners with four equivalent O(1)Mn3Zn tetrahedra, edges with two equivalent O(3)Mn2Zn3 trigonal bipyramids, and edges with two equivalent O(2)Mn3Zn2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OMn2Zn3 trigonal bipyramids that share corners with four equivalent O(1)Mn3Zn tetrahedra,  an edgeedge with one O(1)Mn3Zn tetrahedra, edges with two equivalent O(3)Mn2Zn3 trigonal bipyramids, and edges with two equivalent O(2)Mn3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mn(2), one Zn(2), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.050
_cell_length_b   8.319
_cell_length_c   8.474
_cell_angle_alpha   86.548
_cell_angle_beta   79.993
_cell_angle_gamma   80.252
_symmetry_Int_Tables_number   1
_cell_volume   208.595
_cell_formula_units_Z   4
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  0.183  0.723  0.917  1.0
  Mn  Mn1  1  0.405  0.912  0.269  1.0
  Mn  Mn2  1  0.595  0.088  0.731  1.0
  Mn  Mn3  1  0.817  0.277  0.083  1.0
  Zn  Zn4  1  0.594  0.586  0.261  1.0
  Zn  Zn5  1  0.406  0.414  0.739  1.0
  Zn  Zn6  1  0.184  0.237  0.397  1.0
  Zn  Zn7  1  0.816  0.763  0.603  1.0
  O  O8  1  0.411  0.242  0.923  1.0
  O  O9  1  0.198  0.898  0.709  1.0
  O  O10  1  0.802  0.102  0.291  1.0
  O  O11  1  0.589  0.758  0.077  1.0
  O  O12  1  0.808  0.582  0.769  1.0
  O  O13  1  0.946  0.738  0.377  1.0
  O  O14  1  0.192  0.418  0.231  1.0
  O  O15  1  0.054  0.262  0.623  1.0
[/CIF]
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