Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(4), one O(5), one O(7), two equivalent O(11), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(6), one O(7), one O(9), two equivalent O(1), and two equivalent O(8) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form WO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second W site, W(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(12), one O(2), one O(3), one O(4), and one O(6) atom to form ZnO6 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 18-20°. In the second Zn site, Zn(2) is bonded to one O(10), one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form ZnO6 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 18-20°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(4), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(4), two equivalent Sr(3), one W(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(1), one W(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one W(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one W(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one W(1), and one Zn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(4), one W(2), and one Zn(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(4), two equivalent Sr(3), one W(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(2), and one Zn(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(1), one W(2), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one W(2), and one Zn(1) atom.
Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(4), one O(5), one O(7), two equivalent O(11), and two equivalent O(3) atoms. The Sr(1)-O(10) bond length is 2.79 Å. The Sr(1)-O(12) bond length is 2.54 Å. The Sr(1)-O(4) bond length is 2.82 Å. The Sr(1)-O(5) bond length is 2.67 Å. The Sr(1)-O(7) bond length is 3.02 Å. There is one shorter (2.58 Å) and one longer (2.87 Å) Sr(1)-O(11) bond length. There is one shorter (2.55 Å) and one longer (2.84 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(4) atoms. The Sr(2)-O(1) bond length is 2.79 Å. The Sr(2)-O(12) bond length is 2.70 Å. The Sr(2)-O(6) bond length is 3.03 Å. The Sr(2)-O(7) bond length is 2.55 Å. The Sr(2)-O(8) bond length is 2.77 Å. There is one shorter (2.58 Å) and one longer (2.86 Å) Sr(2)-O(10) bond length. There is one shorter (2.58 Å) and one longer (2.82 Å) Sr(2)-O(4) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(9) atoms. The Sr(3)-O(11) bond length is 2.74 Å. The Sr(3)-O(12) bond length is 3.05 Å. The Sr(3)-O(3) bond length is 2.78 Å. The Sr(3)-O(5) bond length is 2.54 Å. The Sr(3)-O(6) bond length is 2.72 Å. There is one shorter (2.56 Å) and one longer (2.84 Å) Sr(3)-O(2) bond length. There is one shorter (2.58 Å) and one longer (2.83 Å) Sr(3)-O(9) bond length. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(6), one O(7), one O(9), two equivalent O(1), and two equivalent O(8) atoms. The Sr(4)-O(12) bond length is 3.12 Å. The Sr(4)-O(2) bond length is 2.77 Å. The Sr(4)-O(6) bond length is 2.54 Å. The Sr(4)-O(7) bond length is 2.69 Å. The Sr(4)-O(9) bond length is 2.74 Å. There is one shorter (2.56 Å) and one longer (2.84 Å) Sr(4)-O(1) bond length. There is one shorter (2.58 Å) and one longer (2.85 Å) Sr(4)-O(8) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form WO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. The W(1)-O(1) bond length is 1.96 Å. The W(1)-O(2) bond length is 1.96 Å. The W(1)-O(3) bond length is 1.95 Å. The W(1)-O(4) bond length is 1.96 Å. The W(1)-O(5) bond length is 1.96 Å. The W(1)-O(7) bond length is 1.96 Å. In the second W site, W(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. The W(2)-O(10) bond length is 1.96 Å. The W(2)-O(11) bond length is 1.96 Å. The W(2)-O(12) bond length is 1.96 Å. The W(2)-O(6) bond length is 1.96 Å. The W(2)-O(8) bond length is 1.96 Å. The W(2)-O(9) bond length is 1.96 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(12), one O(2), one O(3), one O(4), and one O(6) atom to form ZnO6 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 18-20°. The Zn(1)-O(1) bond length is 2.14 Å. The Zn(1)-O(12) bond length is 2.14 Å. The Zn(1)-O(2) bond length is 2.13 Å. The Zn(1)-O(3) bond length is 2.14 Å. The Zn(1)-O(4) bond length is 2.13 Å. The Zn(1)-O(6) bond length is 2.12 Å. In the second Zn site, Zn(2) is bonded to one O(10), one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form ZnO6 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 18-20°. The Zn(2)-O(10) bond length is 2.13 Å. The Zn(2)-O(11) bond length is 2.13 Å. The Zn(2)-O(5) bond length is 2.13 Å. The Zn(2)-O(7) bond length is 2.13 Å. The Zn(2)-O(8) bond length is 2.12 Å. The Zn(2)-O(9) bond length is 2.13 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(4), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(4), two equivalent Sr(3), one W(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(1), one W(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one W(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one W(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one W(1), and one Zn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(4), one W(2), and one Zn(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(4), two equivalent Sr(3), one W(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(2), and one Zn(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(1), one W(2), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one W(2), and one Zn(1) atom.