Ba2YCr3O7 crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to one O(6), one O(9), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CrO5 square pyramids. In the third Cr site, Cr(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing CrO5 square pyramids. In the fourth Cr site, Cr(4) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(1) atoms. In the fifth Cr site, Cr(5) is bonded to one O(9), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing CrO5 square pyramids. In the sixth Cr site, Cr(6) is bonded to one O(8), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CrO5 square pyramids. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cr(5), and one Cr(6) atom. In the second O site, O(6) is bonded to four equivalent Ba(1), one Cr(1), and one Cr(3) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(7) is bonded to four equivalent Ba(1), one Cr(2), and one Cr(4) atom to form a mixture of corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the fourth O site, O(8) is bonded to four equivalent Ba(2), one Cr(4), and one Cr(6) atom to form a mixture of corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the fifth O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cr(1), and one Cr(4) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(2), and one Cr(3) atom. In the seventh O site, O(9) is bonded to four equivalent Ba(2), one Cr(1), and one Cr(5) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the eighth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cr(5), and one Cr(6) atom. In the ninth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(2), and one Cr(3) atom.
Ba2YCr3O7 crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. Both Ba(1)-O(1) bond lengths are 2.89 Å. Both Ba(1)-O(2) bond lengths are 3.10 Å. Both Ba(1)-O(4) bond lengths are 3.05 Å. Both Ba(1)-O(6) bond lengths are 2.81 Å. Both Ba(1)-O(7) bond lengths are 2.81 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. Both Ba(2)-O(1) bond lengths are 2.90 Å. Both Ba(2)-O(3) bond lengths are 3.10 Å. Both Ba(2)-O(5) bond lengths are 3.05 Å. Both Ba(2)-O(8) bond lengths are 2.81 Å. Both Ba(2)-O(9) bond lengths are 2.81 Å. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Y(1)-O(2) bond lengths are 2.46 Å. Both Y(1)-O(3) bond lengths are 2.47 Å. Both Y(1)-O(4) bond lengths are 2.43 Å. Both Y(1)-O(5) bond lengths are 2.43 Å. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to one O(6), one O(9), and two equivalent O(1) atoms. The Cr(1)-O(6) bond length is 2.11 Å. The Cr(1)-O(9) bond length is 2.08 Å. Both Cr(1)-O(1) bond lengths are 2.00 Å. In the second Cr site, Cr(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CrO5 square pyramids. The Cr(2)-O(7) bond length is 2.13 Å. Both Cr(2)-O(2) bond lengths are 2.02 Å. Both Cr(2)-O(4) bond lengths are 2.07 Å. In the third Cr site, Cr(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing CrO5 square pyramids. The Cr(3)-O(6) bond length is 1.98 Å. Both Cr(3)-O(2) bond lengths are 1.97 Å. Both Cr(3)-O(4) bond lengths are 2.02 Å. In the fourth Cr site, Cr(4) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(1) atoms. The Cr(4)-O(7) bond length is 2.02 Å. The Cr(4)-O(8) bond length is 2.02 Å. Both Cr(4)-O(1) bond lengths are 2.03 Å. In the fifth Cr site, Cr(5) is bonded to one O(9), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing CrO5 square pyramids. The Cr(5)-O(9) bond length is 1.97 Å. Both Cr(5)-O(3) bond lengths are 1.97 Å. Both Cr(5)-O(5) bond lengths are 2.02 Å. In the sixth Cr site, Cr(6) is bonded to one O(8), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CrO5 square pyramids. The Cr(6)-O(8) bond length is 2.15 Å. Both Cr(6)-O(3) bond lengths are 2.02 Å. Both Cr(6)-O(5) bond lengths are 2.07 Å. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cr(5), and one Cr(6) atom. In the second O site, O(6) is bonded to four equivalent Ba(1), one Cr(1), and one Cr(3) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(7) is bonded to four equivalent Ba(1), one Cr(2), and one Cr(4) atom to form a mixture of corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the fourth O site, O(8) is bonded to four equivalent Ba(2), one Cr(4), and one Cr(6) atom to form a mixture of corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the fifth O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cr(1), and one Cr(4) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(2), and one Cr(3) atom. In the seventh O site, O(9) is bonded to four equivalent Ba(2), one Cr(1), and one Cr(5) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the eighth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cr(5), and one Cr(6) atom. In the ninth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(2), and one Cr(3) atom.