Sr2CaWO6 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O6 octahedra, faces with two equivalent Ca(2)O6 octahedra, faces with two equivalent W(1)O6 octahedra, and faces with two equivalent W(2)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Ca(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom to form distorted face-sharing OSr4CaW octahedra. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ca(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Sr(2), one Ca(1), and one W(1) atom.
Sr2CaWO6 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Sr(1)-O(3) bond length is 2.64 Å. Both Sr(1)-O(1) bond lengths are 2.88 Å. Both Sr(1)-O(2) bond lengths are 2.99 Å. Both Sr(1)-O(4) bond lengths are 2.96 Å. Both Sr(1)-O(5) bond lengths are 2.79 Å. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O6 octahedra, faces with two equivalent Ca(2)O6 octahedra, faces with two equivalent W(1)O6 octahedra, and faces with two equivalent W(2)O6 octahedra. Both Sr(2)-O(1) bond lengths are 2.97 Å. Both Sr(2)-O(2) bond lengths are 3.01 Å. Both Sr(2)-O(3) bond lengths are 2.96 Å. There is one shorter (2.95 Å) and one longer (3.03 Å) Sr(2)-O(4) bond length. Both Sr(2)-O(5) bond lengths are 3.09 Å. Both Sr(2)-O(6) bond lengths are 2.81 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. Both Ca(1)-O(4) bond lengths are 2.24 Å. Both Ca(1)-O(5) bond lengths are 2.22 Å. Both Ca(1)-O(6) bond lengths are 2.29 Å. In the second Ca site, Ca(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Both Ca(2)-O(1) bond lengths are 2.27 Å. Both Ca(2)-O(2) bond lengths are 2.23 Å. Both Ca(2)-O(3) bond lengths are 2.25 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both W(1)-O(3) bond lengths are 1.95 Å. Both W(1)-O(5) bond lengths are 1.96 Å. Both W(1)-O(6) bond lengths are 1.93 Å. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Ca(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both W(2)-O(1) bond lengths are 1.95 Å. Both W(2)-O(2) bond lengths are 1.95 Å. Both W(2)-O(4) bond lengths are 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom to form distorted face-sharing OSr4CaW octahedra. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ca(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ca(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Sr(2), one Ca(1), and one W(1) atom.