The compound described by MnZnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 46-53°. In the second Mn site, Mn(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and edges with two equivalent Mn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(3), two equivalent O(1), and two equivalent O(7) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(6), one O(7), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Mn(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 60-66°. In the second Zn site, Zn(2) is bonded to one O(2), one O(5), and two equivalent O(8) atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-63°. In the third Zn site, Zn(3) is bonded in an L-shaped geometry to one O(2) and one O(5) atom. In the fourth Zn site, Zn(4) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(3), two equivalent Mn(4), and one Zn(4) atom. In the second O site, O(2) is bonded to one Zn(2), one Zn(3), and two equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with two equivalent O(6)Mn3Zn tetrahedra, corners with two equivalent O(7)Mn3Zn tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, and  an edgeedge with one O(5)Mn2Zn2 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(4), two equivalent Mn(2), and one Zn(4) atom to form a mixture of distorted edge and corner-sharing OMn3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(2), two equivalent Mn(1), and one Zn(4) atom to form distorted OMn3Zn trigonal pyramids that share corners with two equivalent O(6)Mn3Zn tetrahedra, corners with two equivalent O(7)Mn3Zn tetrahedra,  a cornercorner with one O(3)Mn3Zn trigonal pyramid, corners with two equivalent O(5)Mn2Zn2 trigonal pyramids, corners with two equivalent O(4)Mn3Zn trigonal pyramids,  an edgeedge with one O(5)Mn2Zn2 trigonal pyramid, and  an edgeedge with one O(3)Mn3Zn trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Mn(1), one Zn(2), and one Zn(3) atom to form OMn2Zn2 trigonal pyramids that share corners with two equivalent O(7)Mn3Zn tetrahedra, corners with two equivalent O(5)Mn2Zn2 trigonal pyramids, corners with two equivalent O(4)Mn3Zn trigonal pyramids,  an edgeedge with one O(2)Zn4 tetrahedra, and  an edgeedge with one O(4)Mn3Zn trigonal pyramid. In the sixth O site, O(6) is bonded to one Mn(3), two equivalent Mn(2), and one Zn(1) atom to form distorted OMn3Zn tetrahedra that share  a cornercorner with one O(7)Mn3Zn tetrahedra, corners with two equivalent O(6)Mn3Zn tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with two equivalent O(3)Mn3Zn trigonal pyramids, corners with two equivalent O(4)Mn3Zn trigonal pyramids, and  an edgeedge with one O(3)Mn3Zn trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(1), two equivalent Mn(4), and one Zn(1) atom to form OMn3Zn tetrahedra that share  a cornercorner with one O(6)Mn3Zn tetrahedra, corners with two equivalent O(7)Mn3Zn tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with two equivalent O(5)Mn2Zn2 trigonal pyramids, corners with two equivalent O(3)Mn3Zn trigonal pyramids, and corners with two equivalent O(4)Mn3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), and two equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.140
_cell_length_b   8.208
_cell_length_c   8.270
_cell_angle_alpha   107.430
_cell_angle_beta   88.696
_cell_angle_gamma   98.797
_symmetry_Int_Tables_number   1
_cell_volume   200.940
_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  0.260  0.090  0.455  1.0
  Mn  Mn1  1  0.895  0.467  0.774  1.0
  Mn  Mn2  1  0.260  0.515  0.127  1.0
  Mn  Mn3  1  0.651  0.764  0.531  1.0
  Zn  Zn4  1  0.193  0.101  0.842  1.0
  Zn  Zn5  1  0.561  0.835  0.049  1.0
  Zn  Zn6  1  0.678  0.202  0.199  1.0
  Zn  Zn7  1  0.219  0.416  0.438  1.0
  O  O8  1  0.117  0.622  0.368  1.0
  O  O9  1  0.660  0.044  0.968  1.0
  O  O10  1  0.518  0.569  0.658  1.0
  O  O11  1  0.849  0.263  0.568  1.0
  O  O12  1  0.706  0.990  0.291  1.0
  O  O13  1  0.281  0.358  0.889  1.0
  O  O14  1  0.201  0.935  0.614  1.0
  O  O15  1  0.983  0.669  0.003  1.0
[/CIF]
.
The compound described by MnZnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 46-53°. In the second Mn site, Mn(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and edges with two equivalent Mn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(3), two equivalent O(1), and two equivalent O(7) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(6), one O(7), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Mn(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 60-66°. In the second Zn site, Zn(2) is bonded to one O(2), one O(5), and two equivalent O(8) atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-63°. In the third Zn site, Zn(3) is bonded in an L-shaped geometry to one O(2) and one O(5) atom. In the fourth Zn site, Zn(4) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(3), two equivalent Mn(4), and one Zn(4) atom. In the second O site, O(2) is bonded to one Zn(2), one Zn(3), and two equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with two equivalent O(6)Mn3Zn tetrahedra, corners with two equivalent O(7)Mn3Zn tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, and  an edgeedge with one O(5)Mn2Zn2 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(4), two equivalent Mn(2), and one Zn(4) atom to form a mixture of distorted edge and corner-sharing OMn3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(2), two equivalent Mn(1), and one Zn(4) atom to form distorted OMn3Zn trigonal pyramids that share corners with two equivalent O(6)Mn3Zn tetrahedra, corners with two equivalent O(7)Mn3Zn tetrahedra,  a cornercorner with one O(3)Mn3Zn trigonal pyramid, corners with two equivalent O(5)Mn2Zn2 trigonal pyramids, corners with two equivalent O(4)Mn3Zn trigonal pyramids,  an edgeedge with one O(5)Mn2Zn2 trigonal pyramid, and  an edgeedge with one O(3)Mn3Zn trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Mn(1), one Zn(2), and one Zn(3) atom to form OMn2Zn2 trigonal pyramids that share corners with two equivalent O(7)Mn3Zn tetrahedra, corners with two equivalent O(5)Mn2Zn2 trigonal pyramids, corners with two equivalent O(4)Mn3Zn trigonal pyramids,  an edgeedge with one O(2)Zn4 tetrahedra, and  an edgeedge with one O(4)Mn3Zn trigonal pyramid. In the sixth O site, O(6) is bonded to one Mn(3), two equivalent Mn(2), and one Zn(1) atom to form distorted OMn3Zn tetrahedra that share  a cornercorner with one O(7)Mn3Zn tetrahedra, corners with two equivalent O(6)Mn3Zn tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with two equivalent O(3)Mn3Zn trigonal pyramids, corners with two equivalent O(4)Mn3Zn trigonal pyramids, and  an edgeedge with one O(3)Mn3Zn trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(1), two equivalent Mn(4), and one Zn(1) atom to form OMn3Zn tetrahedra that share  a cornercorner with one O(6)Mn3Zn tetrahedra, corners with two equivalent O(7)Mn3Zn tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, corners with two equivalent O(5)Mn2Zn2 trigonal pyramids, corners with two equivalent O(3)Mn3Zn trigonal pyramids, and corners with two equivalent O(4)Mn3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), and two equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.140
_cell_length_b   8.208
_cell_length_c   8.270
_cell_angle_alpha   107.430
_cell_angle_beta   88.696
_cell_angle_gamma   98.797
_symmetry_Int_Tables_number   1
_cell_volume   200.940
_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  0.260  0.090  0.455  1.0
  Mn  Mn1  1  0.895  0.467  0.774  1.0
  Mn  Mn2  1  0.260  0.515  0.127  1.0
  Mn  Mn3  1  0.651  0.764  0.531  1.0
  Zn  Zn4  1  0.193  0.101  0.842  1.0
  Zn  Zn5  1  0.561  0.835  0.049  1.0
  Zn  Zn6  1  0.678  0.202  0.199  1.0
  Zn  Zn7  1  0.219  0.416  0.438  1.0
  O  O8  1  0.117  0.622  0.368  1.0
  O  O9  1  0.660  0.044  0.968  1.0
  O  O10  1  0.518  0.569  0.658  1.0
  O  O11  1  0.849  0.263  0.568  1.0
  O  O12  1  0.706  0.990  0.291  1.0
  O  O13  1  0.281  0.358  0.889  1.0
  O  O14  1  0.201  0.935  0.614  1.0
  O  O15  1  0.983  0.669  0.003  1.0
[/CIF]
.