The crystal structure described by Mn9Zn2O13 crystallizes in the triclinic P-1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the third Mn site, Mn(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(4) and four equivalent Mn(2) atoms to form OMn6 octahedra that share corners with four equivalent O(3)Mn5 square pyramids, corners with two equivalent O(2)Mn2Zn2 tetrahedra, edges with two equivalent O(1)Mn6 octahedra, and edges with six equivalent O(3)Mn5 square pyramids. In the second O site, O(2) is bonded to one Mn(4), one Mn(5), and two equivalent Zn(1) atoms to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(1)Mn6 octahedra,  a cornercorner with one O(7)Mn6 octahedra, corners with two equivalent O(3)Mn5 square pyramids, corners with two equivalent O(6)Mn5 square pyramids, corners with two equivalent O(2)Mn2Zn2 tetrahedra, corners with four equivalent O(5)Mn3Zn2 trigonal bipyramids, and  an edgeedge with one O(5)Mn3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-11°. In the third O site, O(3) is bonded to two equivalent Mn(4) and three equivalent Mn(2) atoms to form OMn5 square pyramids that share corners with two equivalent O(1)Mn6 octahedra, corners with two equivalent O(2)Mn2Zn2 tetrahedra, edges with three equivalent O(1)Mn6 octahedra, and edges with four equivalent O(3)Mn5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mn(2), two equivalent Mn(4), and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded to one Mn(3), two equivalent Mn(5), and two equivalent Zn(1) atoms to form distorted OMn3Zn2 trigonal bipyramids that share  a cornercorner with one O(7)Mn6 octahedra, corners with four equivalent O(6)Mn5 square pyramids, corners with four equivalent O(2)Mn2Zn2 tetrahedra, edges with two equivalent O(7)Mn6 octahedra,  an edgeedge with one O(6)Mn5 square pyramid,  an edgeedge with one O(2)Mn2Zn2 tetrahedra, and edges with two equivalent O(5)Mn3Zn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the sixth O site, O(6) is bonded to one Mn(1), two equivalent Mn(3), and two equivalent Mn(5) atoms to form distorted OMn5 square pyramids that share corners with two equivalent O(7)Mn6 octahedra,  a cornercorner with one O(6)Mn5 square pyramid, corners with two equivalent O(2)Mn2Zn2 tetrahedra, corners with four equivalent O(5)Mn3Zn2 trigonal bipyramids, edges with five equivalent O(7)Mn6 octahedra, edges with two equivalent O(6)Mn5 square pyramids, and  an edgeedge with one O(5)Mn3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. In the seventh O site, O(7) is bonded to one Mn(5), two equivalent Mn(1), and three equivalent Mn(3) atoms to form OMn6 octahedra that share corners with two equivalent O(7)Mn6 octahedra, corners with two equivalent O(6)Mn5 square pyramids,  a cornercorner with one O(2)Mn2Zn2 tetrahedra,  a cornercorner with one O(5)Mn3Zn2 trigonal bipyramid, edges with five equivalent O(7)Mn6 octahedra, edges with five equivalent O(6)Mn5 square pyramids, and edges with two equivalent O(5)Mn3Zn2 trigonal bipyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Mn9Zn2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.050
_cell_length_b   5.318
_cell_length_c   17.279
_cell_angle_alpha   97.952
_cell_angle_beta   90.370
_cell_angle_gamma   105.248
_symmetry_Int_Tables_number   1
_cell_volume   267.486
_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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.646  0.292  0.041  1.0
  Mn  Mn2  1  0.354  0.708  0.959  1.0
  Mn  Mn3  1  0.751  0.499  0.416  1.0
  Mn  Mn4  1  0.249  0.501  0.584  1.0
  Mn  Mn5  1  0.941  0.872  0.128  1.0
  Mn  Mn6  1  0.059  0.128  0.872  1.0
  Mn  Mn7  1  0.995  0.983  0.328  1.0
  Mn  Mn8  1  0.005  0.017  0.672  1.0
  Zn  Zn9  1  0.228  0.436  0.228  1.0
  Zn  Zn10  1  0.772  0.564  0.772  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.852  0.701  0.229  1.0
  O  O13  1  0.148  0.299  0.771  1.0
  O  O14  1  0.300  0.593  0.066  1.0
  O  O15  1  0.700  0.407  0.934  1.0
  O  O16  1  0.587  0.174  0.143  1.0
  O  O17  1  0.413  0.826  0.857  1.0
  O  O18  1  0.623  0.254  0.311  1.0
  O  O19  1  0.377  0.746  0.689  1.0
  O  O20  1  0.394  0.788  0.394  1.0
  O  O21  1  0.606  0.212  0.606  1.0
  O  O22  1  0.135  0.258  0.466  1.0
  O  O23  1  0.865  0.742  0.534  1.0
[/CIF]
.
The crystal structure described by Mn9Zn2O13 crystallizes in the triclinic P-1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the third Mn site, Mn(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(4) and four equivalent Mn(2) atoms to form OMn6 octahedra that share corners with four equivalent O(3)Mn5 square pyramids, corners with two equivalent O(2)Mn2Zn2 tetrahedra, edges with two equivalent O(1)Mn6 octahedra, and edges with six equivalent O(3)Mn5 square pyramids. In the second O site, O(2) is bonded to one Mn(4), one Mn(5), and two equivalent Zn(1) atoms to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(1)Mn6 octahedra,  a cornercorner with one O(7)Mn6 octahedra, corners with two equivalent O(3)Mn5 square pyramids, corners with two equivalent O(6)Mn5 square pyramids, corners with two equivalent O(2)Mn2Zn2 tetrahedra, corners with four equivalent O(5)Mn3Zn2 trigonal bipyramids, and  an edgeedge with one O(5)Mn3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-11°. In the third O site, O(3) is bonded to two equivalent Mn(4) and three equivalent Mn(2) atoms to form OMn5 square pyramids that share corners with two equivalent O(1)Mn6 octahedra, corners with two equivalent O(2)Mn2Zn2 tetrahedra, edges with three equivalent O(1)Mn6 octahedra, and edges with four equivalent O(3)Mn5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mn(2), two equivalent Mn(4), and two equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded to one Mn(3), two equivalent Mn(5), and two equivalent Zn(1) atoms to form distorted OMn3Zn2 trigonal bipyramids that share  a cornercorner with one O(7)Mn6 octahedra, corners with four equivalent O(6)Mn5 square pyramids, corners with four equivalent O(2)Mn2Zn2 tetrahedra, edges with two equivalent O(7)Mn6 octahedra,  an edgeedge with one O(6)Mn5 square pyramid,  an edgeedge with one O(2)Mn2Zn2 tetrahedra, and edges with two equivalent O(5)Mn3Zn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the sixth O site, O(6) is bonded to one Mn(1), two equivalent Mn(3), and two equivalent Mn(5) atoms to form distorted OMn5 square pyramids that share corners with two equivalent O(7)Mn6 octahedra,  a cornercorner with one O(6)Mn5 square pyramid, corners with two equivalent O(2)Mn2Zn2 tetrahedra, corners with four equivalent O(5)Mn3Zn2 trigonal bipyramids, edges with five equivalent O(7)Mn6 octahedra, edges with two equivalent O(6)Mn5 square pyramids, and  an edgeedge with one O(5)Mn3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. In the seventh O site, O(7) is bonded to one Mn(5), two equivalent Mn(1), and three equivalent Mn(3) atoms to form OMn6 octahedra that share corners with two equivalent O(7)Mn6 octahedra, corners with two equivalent O(6)Mn5 square pyramids,  a cornercorner with one O(2)Mn2Zn2 tetrahedra,  a cornercorner with one O(5)Mn3Zn2 trigonal bipyramid, edges with five equivalent O(7)Mn6 octahedra, edges with five equivalent O(6)Mn5 square pyramids, and edges with two equivalent O(5)Mn3Zn2 trigonal bipyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Mn9Zn2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.050
_cell_length_b   5.318
_cell_length_c   17.279
_cell_angle_alpha   97.952
_cell_angle_beta   90.370
_cell_angle_gamma   105.248
_symmetry_Int_Tables_number   1
_cell_volume   267.486
_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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.646  0.292  0.041  1.0
  Mn  Mn2  1  0.354  0.708  0.959  1.0
  Mn  Mn3  1  0.751  0.499  0.416  1.0
  Mn  Mn4  1  0.249  0.501  0.584  1.0
  Mn  Mn5  1  0.941  0.872  0.128  1.0
  Mn  Mn6  1  0.059  0.128  0.872  1.0
  Mn  Mn7  1  0.995  0.983  0.328  1.0
  Mn  Mn8  1  0.005  0.017  0.672  1.0
  Zn  Zn9  1  0.228  0.436  0.228  1.0
  Zn  Zn10  1  0.772  0.564  0.772  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.852  0.701  0.229  1.0
  O  O13  1  0.148  0.299  0.771  1.0
  O  O14  1  0.300  0.593  0.066  1.0
  O  O15  1  0.700  0.407  0.934  1.0
  O  O16  1  0.587  0.174  0.143  1.0
  O  O17  1  0.413  0.826  0.857  1.0
  O  O18  1  0.623  0.254  0.311  1.0
  O  O19  1  0.377  0.746  0.689  1.0
  O  O20  1  0.394  0.788  0.394  1.0
  O  O21  1  0.606  0.212  0.606  1.0
  O  O22  1  0.135  0.258  0.466  1.0
  O  O23  1  0.865  0.742  0.534  1.0
[/CIF]
.