Cr3Sb5O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted SbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Sb(4)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third Sb site, Sb(3) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Sb site, Sb(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2), one Sb(1), and one Sb(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Sb(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Sb(4) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cr(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Sb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(4) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Cr(2), one Sb(2), and one Sb(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Sb(4) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Sb(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2) and two equivalent Sb(4) atoms.
Cr3Sb5O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Cr(1)-O(11) bond length is 2.11 Å. The Cr(1)-O(2) bond length is 2.01 Å. The Cr(1)-O(3) bond length is 2.02 Å. The Cr(1)-O(4) bond length is 2.04 Å. The Cr(1)-O(6) bond length is 2.04 Å. The Cr(1)-O(7) bond length is 2.07 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Cr(2)-O(10) bond length is 2.09 Å. The Cr(2)-O(5) bond length is 2.05 Å. Both Cr(2)-O(1) bond lengths are 2.01 Å. Both Cr(2)-O(9) bond lengths are 2.08 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted SbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Sb(4)O6 octahedra,  an edgeedge with one Sb(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Sb(1)-O(2) bond length is 2.07 Å. The Sb(1)-O(8) bond length is 2.55 Å. Both Sb(1)-O(1) bond lengths are 2.43 Å. Both Sb(1)-O(6) bond lengths are 2.19 Å. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Sb(2)-O(12) bond length is 2.16 Å. The Sb(2)-O(7) bond length is 1.94 Å. Both Sb(2)-O(11) bond lengths are 2.02 Å. Both Sb(2)-O(9) bond lengths are 2.08 Å. In the third Sb site, Sb(3) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Sb(3)-O(3) bond length is 2.00 Å. The Sb(3)-O(4) bond length is 1.97 Å. Both Sb(3)-O(11) bond lengths are 2.09 Å. Both Sb(3)-O(6) bond lengths are 2.03 Å. In the fourth Sb site, Sb(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Sb(4)-O(1) bond length is 1.95 Å. The Sb(4)-O(10) bond length is 2.06 Å. The Sb(4)-O(12) bond length is 2.10 Å. The Sb(4)-O(5) bond length is 2.05 Å. The Sb(4)-O(8) bond length is 2.01 Å. The Sb(4)-O(9) bond length is 2.05 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2), one Sb(1), and one Sb(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Sb(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Sb(4) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cr(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Sb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(4) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Cr(2), one Sb(2), and one Sb(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Sb(4) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Sb(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2) and two equivalent Sb(4) atoms.