BaSr(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Pb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), one Sr(1), and two equivalent Pb(1) atoms to form distorted OBa2SrPb2 trigonal bipyramids that share corners with three equivalent O(2)Ba2SrPb2 trigonal bipyramids, edges with two equivalent O(4)Sr2Pb2 tetrahedra, and edges with three equivalent O(2)Ba2SrPb2 trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1) and two equivalent Pb(1) atoms to form OSr2Pb2 tetrahedra that share corners with two equivalent O(4)Sr2Pb2 tetrahedra and edges with four equivalent O(2)Ba2SrPb2 trigonal bipyramids.
BaSr(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Both Ba(1)-O(1) bond lengths are 3.14 Å. There are two shorter (2.66 Å) and two longer (2.99 Å) Ba(1)-O(2) bond lengths. There are a spread of Ba(1)-O(3) bond distances ranging from 2.68-3.42 Å. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Both Sr(1)-O(2) bond lengths are 2.95 Å. There is one shorter (2.55 Å) and one longer (2.61 Å) Sr(1)-O(4) bond length. There are two shorter (2.60 Å) and two longer (2.84 Å) Sr(1)-O(1) bond lengths. Pb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. The Pb(1)-O(3) bond length is 2.25 Å. The Pb(1)-O(4) bond length is 2.20 Å. There is one shorter (2.21 Å) and one longer (2.24 Å) Pb(1)-O(1) bond length. There is one shorter (2.21 Å) and one longer (2.22 Å) Pb(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), one Sr(1), and two equivalent Pb(1) atoms to form distorted OBa2SrPb2 trigonal bipyramids that share corners with three equivalent O(2)Ba2SrPb2 trigonal bipyramids, edges with two equivalent O(4)Sr2Pb2 tetrahedra, and edges with three equivalent O(2)Ba2SrPb2 trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1) and two equivalent Pb(1) atoms to form OSr2Pb2 tetrahedra that share corners with two equivalent O(4)Sr2Pb2 tetrahedra and edges with four equivalent O(2)Ba2SrPb2 trigonal bipyramids.