The structure described by Mn6Zn3O16 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(15), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(13), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(15), one O(16), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(10), one O(14), one O(15), one O(16), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(16), one O(3), one O(6), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Zn site, Zn(2) is bonded to one O(11), one O(14), one O(4), and one O(5) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third Zn site, Zn(3) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(6), and one Zn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Zn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(2) atom to form distorted corner-sharing OMn3Zn trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Zn(3) atom to form distorted corner-sharing OMn3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Zn(3) atom. In the ninth O site, O(9) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Zn(1) atom to form distorted corner-sharing OMn3Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a water-like geometry to one Mn(4) and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Mn(2) and one Mn(5) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Mn(3) and one Mn(5) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Zn(2) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Mn(4), one Mn(6), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6Zn3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.295
_cell_length_b   8.293
_cell_length_c   8.302
_cell_angle_alpha   89.607
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   571.115
_cell_formula_units_Z   2
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  0.374  0.127  0.875  1.0
  Mn  Mn1  1  0.874  0.129  0.374  1.0
  Mn  Mn2  1  0.124  0.127  0.626  1.0
  Mn  Mn3  1  0.374  0.871  0.626  1.0
  Mn  Mn4  1  0.624  0.873  0.374  1.0
  Mn  Mn5  1  0.874  0.873  0.125  1.0
  Mn  Mn6  1  0.878  0.626  0.877  1.0
  Mn  Mn7  1  0.620  0.624  0.619  1.0
  Mn  Mn8  1  0.123  0.625  0.122  1.0
  Mn  Mn9  1  0.623  0.375  0.878  1.0
  Mn  Mn10  1  0.120  0.376  0.381  1.0
  Mn  Mn11  1  0.378  0.374  0.123  1.0
  Zn  Zn12  1  0.998  0.253  0.999  1.0
  Zn  Zn13  1  0.503  0.259  0.496  1.0
  Zn  Zn14  1  0.753  0.003  0.752  1.0
  Zn  Zn15  1  0.253  0.997  0.248  1.0
  Zn  Zn16  1  0.498  0.747  0.001  1.0
  Zn  Zn17  1  0.003  0.741  0.504  1.0
  O  O18  1  0.607  0.150  0.864  1.0
  O  O19  1  0.899  0.115  0.606  1.0
  O  O20  1  0.142  0.135  0.851  1.0
  O  O21  1  0.362  0.114  0.637  1.0
  O  O22  1  0.649  0.108  0.386  1.0
  O  O23  1  0.887  0.101  0.144  1.0
  O  O24  1  0.113  0.135  0.388  1.0
  O  O25  1  0.363  0.144  0.101  1.0
  O  O26  1  0.863  0.856  0.899  1.0
  O  O27  1  0.613  0.865  0.612  1.0
  O  O28  1  0.387  0.899  0.856  1.0
  O  O29  1  0.149  0.892  0.614  1.0
  O  O30  1  0.862  0.886  0.363  1.0
  O  O31  1  0.642  0.865  0.149  1.0
  O  O32  1  0.399  0.885  0.394  1.0
  O  O33  1  0.107  0.850  0.136  1.0
  O  O34  1  0.638  0.612  0.862  1.0
  O  O35  1  0.098  0.610  0.898  1.0
  O  O36  1  0.853  0.639  0.651  1.0
  O  O37  1  0.400  0.651  0.640  1.0
  O  O38  1  0.637  0.647  0.402  1.0
  O  O39  1  0.114  0.599  0.357  1.0
  O  O40  1  0.888  0.640  0.111  1.0
  O  O41  1  0.350  0.606  0.116  1.0
  O  O42  1  0.850  0.394  0.884  1.0
  O  O43  1  0.388  0.360  0.889  1.0
  O  O44  1  0.614  0.401  0.643  1.0
  O  O45  1  0.137  0.353  0.598  1.0
  O  O46  1  0.900  0.349  0.360  1.0
  O  O47  1  0.353  0.361  0.349  1.0
  O  O48  1  0.598  0.390  0.102  1.0
  O  O49  1  0.138  0.388  0.138  1.0
[/CIF]
.
The structure described by Mn6Zn3O16 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(15), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(13), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(15), one O(16), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(10), one O(14), one O(15), one O(16), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(16), one O(3), one O(6), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Zn site, Zn(2) is bonded to one O(11), one O(14), one O(4), and one O(5) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third Zn site, Zn(3) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(6), and one Zn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Zn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(2) atom to form distorted corner-sharing OMn3Zn trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded to one Mn(2), one Mn(3), one Mn(5), and one Zn(3) atom to form distorted corner-sharing OMn3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Zn(3) atom. In the ninth O site, O(9) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Zn(1) atom to form distorted corner-sharing OMn3Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a water-like geometry to one Mn(4) and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Mn(2) and one Mn(5) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Mn(3) and one Mn(5) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Zn(2) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Mn(4), one Mn(6), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6Zn3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.295
_cell_length_b   8.293
_cell_length_c   8.302
_cell_angle_alpha   89.607
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   571.115
_cell_formula_units_Z   2
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  0.374  0.127  0.875  1.0
  Mn  Mn1  1  0.874  0.129  0.374  1.0
  Mn  Mn2  1  0.124  0.127  0.626  1.0
  Mn  Mn3  1  0.374  0.871  0.626  1.0
  Mn  Mn4  1  0.624  0.873  0.374  1.0
  Mn  Mn5  1  0.874  0.873  0.125  1.0
  Mn  Mn6  1  0.878  0.626  0.877  1.0
  Mn  Mn7  1  0.620  0.624  0.619  1.0
  Mn  Mn8  1  0.123  0.625  0.122  1.0
  Mn  Mn9  1  0.623  0.375  0.878  1.0
  Mn  Mn10  1  0.120  0.376  0.381  1.0
  Mn  Mn11  1  0.378  0.374  0.123  1.0
  Zn  Zn12  1  0.998  0.253  0.999  1.0
  Zn  Zn13  1  0.503  0.259  0.496  1.0
  Zn  Zn14  1  0.753  0.003  0.752  1.0
  Zn  Zn15  1  0.253  0.997  0.248  1.0
  Zn  Zn16  1  0.498  0.747  0.001  1.0
  Zn  Zn17  1  0.003  0.741  0.504  1.0
  O  O18  1  0.607  0.150  0.864  1.0
  O  O19  1  0.899  0.115  0.606  1.0
  O  O20  1  0.142  0.135  0.851  1.0
  O  O21  1  0.362  0.114  0.637  1.0
  O  O22  1  0.649  0.108  0.386  1.0
  O  O23  1  0.887  0.101  0.144  1.0
  O  O24  1  0.113  0.135  0.388  1.0
  O  O25  1  0.363  0.144  0.101  1.0
  O  O26  1  0.863  0.856  0.899  1.0
  O  O27  1  0.613  0.865  0.612  1.0
  O  O28  1  0.387  0.899  0.856  1.0
  O  O29  1  0.149  0.892  0.614  1.0
  O  O30  1  0.862  0.886  0.363  1.0
  O  O31  1  0.642  0.865  0.149  1.0
  O  O32  1  0.399  0.885  0.394  1.0
  O  O33  1  0.107  0.850  0.136  1.0
  O  O34  1  0.638  0.612  0.862  1.0
  O  O35  1  0.098  0.610  0.898  1.0
  O  O36  1  0.853  0.639  0.651  1.0
  O  O37  1  0.400  0.651  0.640  1.0
  O  O38  1  0.637  0.647  0.402  1.0
  O  O39  1  0.114  0.599  0.357  1.0
  O  O40  1  0.888  0.640  0.111  1.0
  O  O41  1  0.350  0.606  0.116  1.0
  O  O42  1  0.850  0.394  0.884  1.0
  O  O43  1  0.388  0.360  0.889  1.0
  O  O44  1  0.614  0.401  0.643  1.0
  O  O45  1  0.137  0.353  0.598  1.0
  O  O46  1  0.900  0.349  0.360  1.0
  O  O47  1  0.353  0.361  0.349  1.0
  O  O48  1  0.598  0.390  0.102  1.0
  O  O49  1  0.138  0.388  0.138  1.0
[/CIF]
.