Ba2CrO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), three equivalent Ba(1), and one Cr(1) atom.
Ba2CrO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There is one shorter (2.74 Å) and one longer (2.78 Å) Ba(1)-O(2) bond length. There is one shorter (2.91 Å) and two longer (3.19 Å) Ba(1)-O(3) bond lengths. There are two shorter (2.70 Å) and two longer (2.81 Å) Ba(1)-O(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. The Ba(2)-O(3) bond length is 2.63 Å. There are two shorter (2.97 Å) and one longer (3.05 Å) Ba(2)-O(2) bond length. There are two shorter (2.82 Å) and two longer (3.09 Å) Ba(2)-O(1) bond lengths. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Cr(1)-O(2) bond length is 1.80 Å. The Cr(1)-O(3) bond length is 1.75 Å. Both Cr(1)-O(1) bond lengths are 1.76 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), three equivalent Ba(1), and one Cr(1) atom.