BaYCr4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. Y(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YO6 octahedra that share corners with three equivalent Cr(2)O4 tetrahedra and corners with nine equivalent Cr(1)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with two equivalent Cr(2)O4 tetrahedra, and corners with four equivalent Cr(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(2) and three equivalent O(1) atoms to form CrO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra and corners with six equivalent Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded to one Cr(2) and three equivalent Cr(1) atoms to form corner-sharing OCr4 tetrahedra. In the third O site, O(3) is bonded to one Ba(1), one Y(1), and two equivalent Cr(1) atoms to form distorted OBaYCr2 trigonal pyramids that share corners with two equivalent O(2)Cr4 tetrahedra, corners with two equivalent O(3)BaYCr2 trigonal pyramids, and edges with two equivalent O(3)BaYCr2 trigonal pyramids.
BaYCr4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(1) atoms. All Ba(1)-O(3) bond lengths are 2.71 Å. All Ba(1)-O(1) bond lengths are 3.20 Å. Y(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YO6 octahedra that share corners with three equivalent Cr(2)O4 tetrahedra and corners with nine equivalent Cr(1)O4 tetrahedra. All Y(1)-O(1) bond lengths are 2.36 Å. All Y(1)-O(3) bond lengths are 2.24 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with two equivalent Cr(2)O4 tetrahedra, and corners with four equivalent Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Cr(1)-O(1) bond length is 1.98 Å. The Cr(1)-O(2) bond length is 2.04 Å. Both Cr(1)-O(3) bond lengths are 2.04 Å. In the second Cr site, Cr(2) is bonded to one O(2) and three equivalent O(1) atoms to form CrO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra and corners with six equivalent Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. The Cr(2)-O(2) bond length is 2.16 Å. All Cr(2)-O(1) bond lengths are 1.94 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded to one Cr(2) and three equivalent Cr(1) atoms to form corner-sharing OCr4 tetrahedra. In the third O site, O(3) is bonded to one Ba(1), one Y(1), and two equivalent Cr(1) atoms to form distorted OBaYCr2 trigonal pyramids that share corners with two equivalent O(2)Cr4 tetrahedra, corners with two equivalent O(3)BaYCr2 trigonal pyramids, and edges with two equivalent O(3)BaYCr2 trigonal pyramids.