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 seven 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 in a square co-planar geometry to one O(7), one O(8), and two equivalent O(1) atoms. In the third Cr site, Cr(3) 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 fourth Cr site, Cr(4) is bonded to one O(6), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CrO5 square pyramids. 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 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. In the seventh 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. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), 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 1-64°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(3), and one Cr(4) atom. In the third 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 fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(3), and one Cr(4) atom. In the fifth 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 sixth O site, O(6) is bonded to four equivalent Ba(1), one Cr(1), and one Cr(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded to four equivalent Ba(1), one Cr(2), and one Cr(3) atom to form a mixture of edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the eighth O site, O(8) is bonded to four equivalent Ba(2), one Cr(2), and one Cr(6) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the ninth 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 edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
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 2.92 Å. Both Ba(1)-O(2) bond lengths are 3.06 Å. Both Ba(1)-O(4) bond lengths are 3.02 Å. Both Ba(1)-O(6) bond lengths are 2.82 Å. Both Ba(1)-O(7) bond lengths are 2.82 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 2.86 Å. Both Ba(2)-O(3) bond lengths are 3.08 Å. Both Ba(2)-O(5) bond lengths are 3.03 Å. Both Ba(2)-O(8) bond lengths are 2.82 Å. Both Ba(2)-O(9) bond lengths are 2.82 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 2.45 Å. Both Y(1)-O(3) bond lengths are 2.48 Å. Both Y(1)-O(4) bond lengths are 2.42 Å. Both Y(1)-O(5) bond lengths are 2.45 Å. There are seven 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 2.06 Å. The Cr(1)-O(9) bond length is 2.11 Å. Both Cr(1)-O(1) bond lengths are 2.01 Å. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(1) atoms. The Cr(2)-O(7) bond length is 2.01 Å. The Cr(2)-O(8) bond length is 2.07 Å. Both Cr(2)-O(1) bond lengths are 2.03 Å. In the third Cr site, Cr(3) 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(3)-O(7) bond length is 2.18 Å. Both Cr(3)-O(2) bond lengths are 2.00 Å. Both Cr(3)-O(4) bond lengths are 2.05 Å. In the fourth Cr site, Cr(4) is bonded to one O(6), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CrO5 square pyramids. The Cr(4)-O(6) bond length is 2.05 Å. Both Cr(4)-O(2) bond lengths are 1.97 Å. Both Cr(4)-O(4) bond lengths are 2.02 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 corner-sharing CrO5 square pyramids. The Cr(5)-O(9) bond length is 1.95 Å. Both Cr(5)-O(3) bond lengths are 1.98 Å. Both Cr(5)-O(5) bond lengths are 2.03 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 2.03 Å. Both Cr(6)-O(3) bond lengths are 2.01 Å. Both Cr(6)-O(5) bond lengths are 2.06 Å. In the seventh 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 2.06 Å. The Cr(1)-O(9) bond length is 2.11 Å. Both Cr(1)-O(1) bond lengths are 2.01 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), 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 1-64°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(3), and one Cr(4) atom. In the third 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 fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cr(3), and one Cr(4) atom. In the fifth 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 sixth O site, O(6) is bonded to four equivalent Ba(1), one Cr(1), and one Cr(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded to four equivalent Ba(1), one Cr(2), and one Cr(3) atom to form a mixture of edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the eighth O site, O(8) is bonded to four equivalent Ba(2), one Cr(2), and one Cr(6) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the ninth 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 edge, face, and corner-sharing OBa4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.