BaSrPrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form PrO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the second Pr site, Pr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Pr(2)O6 octahedra and corners with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra and corners with four equivalent Pr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. There are six 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), one Pr(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Pr(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Pr(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Pr(2), and one W(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Pr(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), one Pr(1), and one W(2) atom.
BaSrPrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.91 Å. The Ba(1)-O(4) bond length is 2.94 Å. The Ba(1)-O(6) bond length is 2.70 Å. There is one shorter (2.72 Å) and one longer (3.01 Å) Ba(1)-O(2) bond length. There is one shorter (2.67 Å) and one longer (3.08 Å) Ba(1)-O(3) bond length. There is one shorter (2.94 Å) and one longer (3.29 Å) Ba(1)-O(5) bond length. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Sr(1)-O(2) bond length is 2.95 Å. The Sr(1)-O(3) bond length is 2.87 Å. The Sr(1)-O(5) bond length is 2.58 Å. The Sr(1)-O(6) bond length is 2.70 Å. There is one shorter (2.64 Å) and one longer (3.12 Å) Sr(1)-O(1) bond length. There is one shorter (2.61 Å) and one longer (3.00 Å) Sr(1)-O(4) bond length. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form PrO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. Both Pr(1)-O(1) bond lengths are 2.39 Å. Both Pr(1)-O(3) bond lengths are 2.36 Å. Both Pr(1)-O(6) bond lengths are 2.37 Å. In the second Pr site, Pr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. Both Pr(2)-O(2) bond lengths are 2.37 Å. Both Pr(2)-O(4) bond lengths are 2.38 Å. Both Pr(2)-O(5) bond lengths are 2.40 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Pr(2)O6 octahedra and corners with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. Both W(1)-O(1) bond lengths are 2.03 Å. Both W(1)-O(3) bond lengths are 2.04 Å. Both W(1)-O(5) bond lengths are 2.02 Å. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra and corners with four equivalent Pr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. Both W(2)-O(2) bond lengths are 2.01 Å. Both W(2)-O(4) bond lengths are 2.07 Å. Both W(2)-O(6) bond lengths are 2.01 Å. There are six 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), one Pr(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Pr(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Pr(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Pr(2), and one W(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Pr(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), one Pr(1), and one W(2) atom.