The material structure described by MnZn5(BO5)2 crystallizes in the orthorhombic Pmc2_1 space group. Mn(1) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with two equivalent Zn(4)O6 octahedra,  an edgeedge with one Zn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share  a cornercorner with one Zn(3)O6 octahedra, corners with two equivalent Zn(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the second Zn site, Zn(2) is bonded to one O(4), one O(9), two equivalent O(2), and two equivalent O(5) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, edges with two equivalent Zn(4)O6 octahedra, and edges with two equivalent Zn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. In the third Zn site, Zn(3) is bonded to one O(3), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(3)O6 octahedra, and edges with two equivalent Zn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the fourth Zn site, Zn(4) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Zn(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with two equivalent Zn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fifth Zn site, Zn(5) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-65°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded to one Zn(2), two equivalent Zn(4), and two equivalent Zn(5) atoms to form OZn5 square pyramids that share corners with two equivalent O(10)Mn2Zn3 square pyramids,  a cornercorner with one O(4)Mn2Zn2 tetrahedra, corners with two equivalent O(3)Zn4 tetrahedra,  an edgeedge with one O(10)Mn2Zn3 square pyramid, edges with two equivalent O(9)Zn5 square pyramids, and  an edgeedge with one O(3)Zn4 tetrahedra. In the second O site, O(10) is bonded to two equivalent Mn(1), one Zn(1), and two equivalent Zn(4) atoms to form OMn2Zn3 square pyramids that share corners with two equivalent O(9)Zn5 square pyramids,  a cornercorner with one O(3)Zn4 tetrahedra, corners with two equivalent O(4)Mn2Zn2 tetrahedra,  an edgeedge with one O(9)Zn5 square pyramid, edges with two equivalent O(10)Mn2Zn3 square pyramids, and  an edgeedge with one O(4)Mn2Zn2 tetrahedra. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Zn(4), two equivalent Zn(1), and one B(1) atom. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Zn(4), two equivalent Zn(2), and one B(2) atom. In the fifth O site, O(3) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(5) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(10)Mn2Zn3 square pyramid, corners with two equivalent O(9)Zn5 square pyramids,  a cornercorner with one O(4)Mn2Zn2 tetrahedra, corners with two equivalent O(3)Zn4 tetrahedra, and  an edgeedge with one O(9)Zn5 square pyramid. In the sixth O site, O(4) is bonded to two equivalent Mn(1), one Zn(2), and one Zn(3) atom to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(9)Zn5 square pyramid, corners with two equivalent O(10)Mn2Zn3 square pyramids,  a cornercorner with one O(3)Zn4 tetrahedra, corners with two equivalent O(4)Mn2Zn2 tetrahedra, and  an edgeedge with one O(10)Mn2Zn3 square pyramid. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Zn(5), two equivalent Zn(2), and one B(1) atom. In the eighth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Zn(1), and one B(2) atom. In the ninth O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Zn(5), two equivalent Zn(3), and one B(1) atom. In the tenth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Zn(3), and one B(2) atom. is represented by the CIF file [CIF]
data_MnZn5(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.098
_cell_length_b   9.468
_cell_length_c   12.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.786
_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  0.000  0.007  0.615  1.0
  Mn  Mn1  1  0.000  0.993  0.115  1.0
  Zn  Zn2  1  0.500  0.261  0.221  1.0
  Zn  Zn3  1  0.500  0.252  0.779  1.0
  Zn  Zn4  1  0.500  0.748  0.279  1.0
  Zn  Zn5  1  0.500  0.739  0.721  1.0
  Zn  Zn6  1  0.500  0.258  0.499  1.0
  Zn  Zn7  1  0.500  0.742  0.999  1.0
  Zn  Zn8  1  0.000  0.738  0.496  1.0
  Zn  Zn9  1  0.000  0.262  0.996  1.0
  Zn  Zn10  1  0.000  0.488  0.381  1.0
  Zn  Zn11  1  0.000  0.512  0.881  1.0
  B  B12  1  0.000  0.526  0.139  1.0
  B  B13  1  0.000  0.980  0.862  1.0
  B  B14  1  0.000  0.020  0.362  1.0
  B  B15  1  0.000  0.474  0.639  1.0
  O  O16  1  0.000  0.377  0.139  1.0
  O  O17  1  0.000  0.125  0.860  1.0
  O  O18  1  0.000  0.875  0.360  1.0
  O  O19  1  0.000  0.623  0.639  1.0
  O  O20  1  0.500  0.354  0.358  1.0
  O  O21  1  0.500  0.135  0.642  1.0
  O  O22  1  0.500  0.865  0.142  1.0
  O  O23  1  0.500  0.646  0.858  1.0
  O  O24  1  0.000  0.600  0.235  1.0
  O  O25  1  0.000  0.906  0.765  1.0
  O  O26  1  0.000  0.094  0.265  1.0
  O  O27  1  0.000  0.400  0.735  1.0
  O  O28  1  0.000  0.399  0.544  1.0
  O  O29  1  0.000  0.095  0.459  1.0
  O  O30  1  0.000  0.905  0.959  1.0
  O  O31  1  0.000  0.601  0.044  1.0
  O  O32  1  0.500  0.640  0.421  1.0
  O  O33  1  0.500  0.874  0.585  1.0
  O  O34  1  0.500  0.126  0.085  1.0
  O  O35  1  0.500  0.360  0.921  1.0
[/CIF]
.
The material structure described by MnZn5(BO5)2 crystallizes in the orthorhombic Pmc2_1 space group. Mn(1) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with two equivalent Zn(4)O6 octahedra,  an edgeedge with one Zn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share  a cornercorner with one Zn(3)O6 octahedra, corners with two equivalent Zn(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the second Zn site, Zn(2) is bonded to one O(4), one O(9), two equivalent O(2), and two equivalent O(5) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, edges with two equivalent Zn(4)O6 octahedra, and edges with two equivalent Zn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. In the third Zn site, Zn(3) is bonded to one O(3), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form ZnO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(3)O6 octahedra, and edges with two equivalent Zn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the fourth Zn site, Zn(4) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Zn(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with two equivalent Zn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fifth Zn site, Zn(5) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-65°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded to one Zn(2), two equivalent Zn(4), and two equivalent Zn(5) atoms to form OZn5 square pyramids that share corners with two equivalent O(10)Mn2Zn3 square pyramids,  a cornercorner with one O(4)Mn2Zn2 tetrahedra, corners with two equivalent O(3)Zn4 tetrahedra,  an edgeedge with one O(10)Mn2Zn3 square pyramid, edges with two equivalent O(9)Zn5 square pyramids, and  an edgeedge with one O(3)Zn4 tetrahedra. In the second O site, O(10) is bonded to two equivalent Mn(1), one Zn(1), and two equivalent Zn(4) atoms to form OMn2Zn3 square pyramids that share corners with two equivalent O(9)Zn5 square pyramids,  a cornercorner with one O(3)Zn4 tetrahedra, corners with two equivalent O(4)Mn2Zn2 tetrahedra,  an edgeedge with one O(9)Zn5 square pyramid, edges with two equivalent O(10)Mn2Zn3 square pyramids, and  an edgeedge with one O(4)Mn2Zn2 tetrahedra. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Zn(4), two equivalent Zn(1), and one B(1) atom. In the fourth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Zn(4), two equivalent Zn(2), and one B(2) atom. In the fifth O site, O(3) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(5) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(10)Mn2Zn3 square pyramid, corners with two equivalent O(9)Zn5 square pyramids,  a cornercorner with one O(4)Mn2Zn2 tetrahedra, corners with two equivalent O(3)Zn4 tetrahedra, and  an edgeedge with one O(9)Zn5 square pyramid. In the sixth O site, O(4) is bonded to two equivalent Mn(1), one Zn(2), and one Zn(3) atom to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(9)Zn5 square pyramid, corners with two equivalent O(10)Mn2Zn3 square pyramids,  a cornercorner with one O(3)Zn4 tetrahedra, corners with two equivalent O(4)Mn2Zn2 tetrahedra, and  an edgeedge with one O(10)Mn2Zn3 square pyramid. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Zn(5), two equivalent Zn(2), and one B(1) atom. In the eighth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Zn(1), and one B(2) atom. In the ninth O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Zn(5), two equivalent Zn(3), and one B(1) atom. In the tenth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Zn(3), and one B(2) atom. is represented by the CIF file [CIF]
data_MnZn5(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.098
_cell_length_b   9.468
_cell_length_c   12.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   365.786
_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  0.000  0.007  0.615  1.0
  Mn  Mn1  1  0.000  0.993  0.115  1.0
  Zn  Zn2  1  0.500  0.261  0.221  1.0
  Zn  Zn3  1  0.500  0.252  0.779  1.0
  Zn  Zn4  1  0.500  0.748  0.279  1.0
  Zn  Zn5  1  0.500  0.739  0.721  1.0
  Zn  Zn6  1  0.500  0.258  0.499  1.0
  Zn  Zn7  1  0.500  0.742  0.999  1.0
  Zn  Zn8  1  0.000  0.738  0.496  1.0
  Zn  Zn9  1  0.000  0.262  0.996  1.0
  Zn  Zn10  1  0.000  0.488  0.381  1.0
  Zn  Zn11  1  0.000  0.512  0.881  1.0
  B  B12  1  0.000  0.526  0.139  1.0
  B  B13  1  0.000  0.980  0.862  1.0
  B  B14  1  0.000  0.020  0.362  1.0
  B  B15  1  0.000  0.474  0.639  1.0
  O  O16  1  0.000  0.377  0.139  1.0
  O  O17  1  0.000  0.125  0.860  1.0
  O  O18  1  0.000  0.875  0.360  1.0
  O  O19  1  0.000  0.623  0.639  1.0
  O  O20  1  0.500  0.354  0.358  1.0
  O  O21  1  0.500  0.135  0.642  1.0
  O  O22  1  0.500  0.865  0.142  1.0
  O  O23  1  0.500  0.646  0.858  1.0
  O  O24  1  0.000  0.600  0.235  1.0
  O  O25  1  0.000  0.906  0.765  1.0
  O  O26  1  0.000  0.094  0.265  1.0
  O  O27  1  0.000  0.400  0.735  1.0
  O  O28  1  0.000  0.399  0.544  1.0
  O  O29  1  0.000  0.095  0.459  1.0
  O  O30  1  0.000  0.905  0.959  1.0
  O  O31  1  0.000  0.601  0.044  1.0
  O  O32  1  0.500  0.640  0.421  1.0
  O  O33  1  0.500  0.874  0.585  1.0
  O  O34  1  0.500  0.126  0.085  1.0
  O  O35  1  0.500  0.360  0.921  1.0
[/CIF]
.