Sr2MgZrCrO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share faces with two equivalent Zr(1)O6 octahedra. Zr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZrO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. Cr(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr2MgZrCr trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr2MgZrCr trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgZrCr trigonal bipyramids.
Sr2MgZrCrO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Sr(1)-O(1) bond length is 2.71 Å. The Sr(1)-O(2) bond length is 2.50 Å. The Sr(1)-O(3) bond length is 2.44 Å. The Sr(1)-O(4) bond length is 2.85 Å. The Sr(1)-O(5) bond length is 2.75 Å. The Sr(1)-O(6) bond length is 2.64 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Sr(2)-O(1) bond length is 2.63 Å. The Sr(2)-O(2) bond length is 2.77 Å. The Sr(2)-O(3) bond length is 2.84 Å. The Sr(2)-O(4) bond length is 2.43 Å. The Sr(2)-O(5) bond length is 2.50 Å. The Sr(2)-O(6) bond length is 2.74 Å. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share faces with two equivalent Zr(1)O6 octahedra. The Mg(1)-O(1) bond length is 2.08 Å. The Mg(1)-O(2) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.28 Å. The Mg(1)-O(4) bond length is 2.22 Å. The Mg(1)-O(5) bond length is 2.04 Å. The Mg(1)-O(6) bond length is 2.08 Å. Zr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZrO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. The Zr(1)-O(1) bond length is 2.17 Å. The Zr(1)-O(2) bond length is 2.20 Å. The Zr(1)-O(3) bond length is 2.05 Å. The Zr(1)-O(4) bond length is 2.06 Å. The Zr(1)-O(5) bond length is 2.21 Å. The Zr(1)-O(6) bond length is 2.16 Å. Cr(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. The Cr(1)-O(1) bond length is 2.08 Å. The Cr(1)-O(2) bond length is 2.08 Å. The Cr(1)-O(5) bond length is 2.08 Å. The Cr(1)-O(6) bond length is 2.08 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr2MgZrCr trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr2MgZrCr trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgZrCr trigonal bipyramids.