Ba3Cr2O8 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(6), one O(7), one O(8), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(6), one O(7), and one O(8) atom. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(2) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Cr(1) atom.
Ba3Cr2O8 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(6), one O(7), one O(8), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.64 Å. The Ba(1)-O(6) bond length is 2.89 Å. The Ba(1)-O(7) bond length is 2.87 Å. The Ba(1)-O(8) bond length is 2.86 Å. There is one shorter (2.97 Å) and one longer (2.99 Å) Ba(1)-O(3) bond length. There is one shorter (2.96 Å) and one longer (2.99 Å) Ba(1)-O(4) bond length. There is one shorter (2.95 Å) and one longer (3.01 Å) Ba(1)-O(5) bond length. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. The Ba(2)-O(2) bond length is 2.64 Å. The Ba(2)-O(3) bond length is 2.89 Å. The Ba(2)-O(4) bond length is 2.86 Å. The Ba(2)-O(5) bond length is 2.87 Å. There is one shorter (2.97 Å) and one longer (2.99 Å) Ba(2)-O(6) bond length. There is one shorter (2.95 Å) and one longer (3.00 Å) Ba(2)-O(7) bond length. There is one shorter (2.96 Å) and one longer (3.00 Å) Ba(2)-O(8) bond length. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Ba(3)-O(3) bond length is 2.77 Å. The Ba(3)-O(4) bond length is 2.84 Å. The Ba(3)-O(5) bond length is 2.79 Å. The Ba(3)-O(6) bond length is 2.77 Å. The Ba(3)-O(7) bond length is 2.82 Å. The Ba(3)-O(8) bond length is 2.82 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(6), one O(7), and one O(8) atom. The Cr(1)-O(1) bond length is 1.71 Å. The Cr(1)-O(6) bond length is 1.74 Å. The Cr(1)-O(7) bond length is 1.73 Å. The Cr(1)-O(8) bond length is 1.73 Å. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. The Cr(2)-O(2) bond length is 1.71 Å. The Cr(2)-O(3) bond length is 1.74 Å. The Cr(2)-O(4) bond length is 1.73 Å. The Cr(2)-O(5) bond length is 1.74 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ba(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(2) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Cr(1) atom.