BaSr2In6O12 crystallizes in the trigonal P3 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(4) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second In site, In(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), one In(1), and two equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing OSr2In3 square pyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one In(2), and two equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing OSr2In3 square pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one In(1), and two equivalent In(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one In(2), and two equivalent In(1) atoms.
BaSr2In6O12 crystallizes in the trigonal P3 space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(4) atoms. All Ba(1)-O(3) bond lengths are 2.73 Å. There are three shorter (2.94 Å) and three longer (3.26 Å) Ba(1)-O(4) bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. All Sr(1)-O(2) bond lengths are 2.52 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Sr(2)-O(1) bond lengths are 2.51 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The In(1)-O(1) bond length is 2.22 Å. The In(1)-O(3) bond length is 2.21 Å. There is one shorter (2.27 Å) and one longer (2.28 Å) In(1)-O(2) bond length. There is one shorter (2.22 Å) and one longer (2.23 Å) In(1)-O(4) bond length. In the second In site, In(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The In(2)-O(2) bond length is 2.22 Å. The In(2)-O(4) bond length is 2.22 Å. There is one shorter (2.29 Å) and one longer (2.30 Å) In(2)-O(1) bond length. Both In(2)-O(3) bond lengths are 2.19 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), one In(1), and two equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing OSr2In3 square pyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one In(2), and two equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing OSr2In3 square pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one In(1), and two equivalent In(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one In(2), and two equivalent In(1) atoms.