Ba2YCr3O8 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with eight equivalent Ba(1)O12 cuboctahedra, faces with five equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(1)O5 trigonal bipyramids. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with four equivalent Cr(1)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Cr(2) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°.
Ba2YCr3O8 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with eight equivalent Ba(1)O12 cuboctahedra, faces with five equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(1)O5 trigonal bipyramids. All Ba(1)-O(1) bond lengths are 3.26 Å. All Ba(1)-O(2) bond lengths are 2.76 Å. All Ba(1)-O(3) bond lengths are 2.82 Å. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Y(1)-O(1) bond lengths are 2.43 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3) and four equivalent O(1) atoms to form distorted CrO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with four equivalent Cr(1)O5 trigonal bipyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. The Cr(1)-O(3) bond length is 1.91 Å. All Cr(1)-O(1) bond lengths are 2.04 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Cr(2)-O(3) bond lengths are 2.13 Å. All Cr(2)-O(2) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Cr(2) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°.