Cr3BO6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(2)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. B(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom.
Cr3BO6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with eight equivalent Cr(2)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Cr(1)-O(1) bond length is 2.10 Å. The Cr(1)-O(3) bond length is 2.11 Å. Both Cr(1)-O(2) bond lengths are 1.92 Å. Both Cr(1)-O(4) bond lengths are 2.14 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. The Cr(2)-O(1) bond length is 2.06 Å. The Cr(2)-O(3) bond length is 2.15 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Cr(2)-O(2) bond length. There is one shorter (2.02 Å) and one longer (2.06 Å) Cr(2)-O(4) bond length. B(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The B(1)-O(1) bond length is 1.52 Å. The B(1)-O(3) bond length is 1.46 Å. Both B(1)-O(4) bond lengths are 1.52 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cr(1), two equivalent Cr(2), and one B(1) atom.