BaSrCaWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. Sr(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Ca(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. W(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ca(1), and one W(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ca(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ca(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ca(1), and one W(1) atom.
BaSrCaWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. Both Ba(1)-O(3) bond lengths are 3.03 Å. There is one shorter (2.67 Å) and one longer (3.33 Å) Ba(1)-O(4) bond length. There are two shorter (2.82 Å) and two longer (3.15 Å) Ba(1)-O(1) bond lengths. There are two shorter (2.80 Å) and two longer (3.22 Å) Ba(1)-O(2) bond lengths. Sr(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Sr(1)-O(3) bond length is 2.59 Å. Both Sr(1)-O(1) bond lengths are 2.63 Å. Both Sr(1)-O(2) bond lengths are 2.66 Å. Ca(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. The Ca(1)-O(3) bond length is 2.35 Å. The Ca(1)-O(4) bond length is 2.31 Å. Both Ca(1)-O(1) bond lengths are 2.32 Å. Both Ca(1)-O(2) bond lengths are 2.31 Å. W(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. The W(1)-O(3) bond length is 1.97 Å. The W(1)-O(4) bond length is 1.95 Å. Both W(1)-O(1) bond lengths are 1.96 Å. Both W(1)-O(2) bond lengths are 1.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ca(1), and one W(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ca(1), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ca(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ca(1), and one W(1) atom.