Mn5Ni(BO5)2 crystallizes in the orthorhombic Pmc2_1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the third Mn site, Mn(3) is bonded to one O(7), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(5), two equivalent O(10), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(6), two equivalent O(8), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. Ni(1) is bonded to one O(10), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. 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(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(5) atoms to form OMn4 tetrahedra that share  a cornercorner with one O(7)Mn5 square pyramid, corners with two equivalent O(8)Mn4Ni square pyramids,  a cornercorner with one O(10)Mn3Ni tetrahedra, corners with two equivalent O(9)Mn4 tetrahedra, and  an edgeedge with one O(8)Mn4Ni square pyramid. In the second O site, O(10) is bonded to one Mn(1), two equivalent Mn(4), and one Ni(1) atom to form OMn3Ni tetrahedra that share  a cornercorner with one O(8)Mn4Ni square pyramid, corners with two equivalent O(7)Mn5 square pyramids,  a cornercorner with one O(9)Mn4 tetrahedra, corners with two equivalent O(10)Mn3Ni tetrahedra, and  an edgeedge with one O(7)Mn5 square pyramid. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), two equivalent Mn(1), and one B(1) atom. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(1), and one B(2) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(3), and one B(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Ni(1), and one B(1) atom. In the seventh O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), two equivalent Mn(3), and one B(1) atom. In the eighth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(5), two equivalent Ni(1), and one B(2) atom. In the ninth O site, O(7) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form OMn5 square pyramids that share corners with two equivalent O(8)Mn4Ni square pyramids,  a cornercorner with one O(9)Mn4 tetrahedra, corners with two equivalent O(10)Mn3Ni tetrahedra,  an edgeedge with one O(8)Mn4Ni square pyramid, edges with two equivalent O(7)Mn5 square pyramids, and  an edgeedge with one O(10)Mn3Ni tetrahedra. In the tenth O site, O(8) is bonded to two equivalent Mn(2), two equivalent Mn(5), and one Ni(1) atom to form OMn4Ni square pyramids that share corners with two equivalent O(7)Mn5 square pyramids,  a cornercorner with one O(10)Mn3Ni tetrahedra, corners with two equivalent O(9)Mn4 tetrahedra,  an edgeedge with one O(7)Mn5 square pyramid, edges with two equivalent O(8)Mn4Ni square pyramids, and  an edgeedge with one O(9)Mn4 tetrahedra.
Mn5Ni(BO5)2 crystallizes in the orthorhombic Pmc2_1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. The Mn(1)-O(10) bond length is 2.15 Å. The Mn(1)-O(9) bond length is 2.16 Å. Both Mn(1)-O(1) bond lengths are 2.24 Å. Both Mn(1)-O(2) bond lengths are 2.20 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. The Mn(2)-O(3) bond length is 2.24 Å. The Mn(2)-O(4) bond length is 2.19 Å. Both Mn(2)-O(7) bond lengths are 2.19 Å. Both Mn(2)-O(8) bond lengths are 2.18 Å. In the third Mn site, Mn(3) is bonded to one O(7), one O(9), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. The Mn(3)-O(7) bond length is 2.20 Å. The Mn(3)-O(9) bond length is 2.05 Å. Both Mn(3)-O(3) bond lengths are 2.24 Å. Both Mn(3)-O(5) bond lengths are 2.21 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(5), two equivalent O(10), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-62°. The Mn(4)-O(1) bond length is 2.27 Å. The Mn(4)-O(5) bond length is 2.19 Å. Both Mn(4)-O(10) bond lengths are 1.99 Å. Both Mn(4)-O(7) bond lengths are 2.09 Å. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(6), two equivalent O(8), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. The Mn(5)-O(2) bond length is 2.28 Å. The Mn(5)-O(6) bond length is 2.22 Å. Both Mn(5)-O(8) bond lengths are 2.08 Å. Both Mn(5)-O(9) bond lengths are 1.99 Å. Ni(1) is bonded to one O(10), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. The Ni(1)-O(10) bond length is 2.02 Å. The Ni(1)-O(8) bond length is 2.11 Å. Both Ni(1)-O(4) bond lengths are 2.18 Å. Both Ni(1)-O(6) bond lengths are 2.16 Å. 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(4), and one O(5) atom. The B(1)-O(1) bond length is 1.38 Å. The B(1)-O(4) bond length is 1.41 Å. The B(1)-O(5) bond length is 1.39 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. The B(2)-O(2) bond length is 1.38 Å. The B(2)-O(3) bond length is 1.40 Å. The B(2)-O(6) bond length is 1.40 Å. There are ten inequivalent O sites. In the first O site, O(9) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(5) atoms to form OMn4 tetrahedra that share  a cornercorner with one O(7)Mn5 square pyramid, corners with two equivalent O(8)Mn4Ni square pyramids,  a cornercorner with one O(10)Mn3Ni tetrahedra, corners with two equivalent O(9)Mn4 tetrahedra, and  an edgeedge with one O(8)Mn4Ni square pyramid. In the second O site, O(10) is bonded to one Mn(1), two equivalent Mn(4), and one Ni(1) atom to form OMn3Ni tetrahedra that share  a cornercorner with one O(8)Mn4Ni square pyramid, corners with two equivalent O(7)Mn5 square pyramids,  a cornercorner with one O(9)Mn4 tetrahedra, corners with two equivalent O(10)Mn3Ni tetrahedra, and  an edgeedge with one O(7)Mn5 square pyramid. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), two equivalent Mn(1), and one B(1) atom. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(1), and one B(2) atom. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(3), and one B(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Ni(1), and one B(1) atom. In the seventh O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), two equivalent Mn(3), and one B(1) atom. In the eighth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(5), two equivalent Ni(1), and one B(2) atom. In the ninth O site, O(7) is bonded to one Mn(3), two equivalent Mn(2), and two equivalent Mn(4) atoms to form OMn5 square pyramids that share corners with two equivalent O(8)Mn4Ni square pyramids,  a cornercorner with one O(9)Mn4 tetrahedra, corners with two equivalent O(10)Mn3Ni tetrahedra,  an edgeedge with one O(8)Mn4Ni square pyramid, edges with two equivalent O(7)Mn5 square pyramids, and  an edgeedge with one O(10)Mn3Ni tetrahedra. In the tenth O site, O(8) is bonded to two equivalent Mn(2), two equivalent Mn(5), and one Ni(1) atom to form OMn4Ni square pyramids that share corners with two equivalent O(7)Mn5 square pyramids,  a cornercorner with one O(10)Mn3Ni tetrahedra, corners with two equivalent O(9)Mn4 tetrahedra,  an edgeedge with one O(7)Mn5 square pyramid, edges with two equivalent O(8)Mn4Ni square pyramids, and  an edgeedge with one O(9)Mn4 tetrahedra.