Ca2LaRuO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) 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 Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the second Ca site, Ca(2) 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 Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. La(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the second Ru site, Ru(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with four equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), two equivalent La(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(3), one La(1), and one Ru(1) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(3), one La(1), and one Ru(2) atom to form distorted corner-sharing OCa2LaRu tetrahedra. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(2), one Ca(3), one La(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(3), one La(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), two equivalent La(1), and one Ru(2) atom.
Ca2LaRuO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) 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 Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. Both Ca(1)-O(1) bond lengths are 2.27 Å. Both Ca(1)-O(2) bond lengths are 2.34 Å. Both Ca(1)-O(3) bond lengths are 2.32 Å. In the second Ca site, Ca(2) 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 Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. Both Ca(2)-O(4) bond lengths are 2.31 Å. Both Ca(2)-O(5) bond lengths are 2.31 Å. Both Ca(2)-O(6) bond lengths are 2.30 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. The Ca(3)-O(1) bond length is 2.85 Å. The Ca(3)-O(3) bond length is 2.33 Å. The Ca(3)-O(4) bond length is 2.42 Å. The Ca(3)-O(6) bond length is 2.73 Å. There is one shorter (2.38 Å) and one longer (3.02 Å) Ca(3)-O(2) bond length. There is one shorter (2.37 Å) and one longer (2.93 Å) Ca(3)-O(5) bond length. La(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. The La(1)-O(2) bond length is 2.62 Å. The La(1)-O(3) bond length is 2.47 Å. The La(1)-O(4) bond length is 2.41 Å. The La(1)-O(5) bond length is 2.65 Å. There is one shorter (2.41 Å) and one longer (2.78 Å) La(1)-O(1) bond length. There is one shorter (2.44 Å) and one longer (2.87 Å) La(1)-O(6) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. Both Ru(1)-O(1) bond lengths are 1.99 Å. Both Ru(1)-O(2) bond lengths are 1.99 Å. Both Ru(1)-O(4) bond lengths are 2.00 Å. In the second Ru site, Ru(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra and corners with four equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Both Ru(2)-O(3) bond lengths are 2.00 Å. Both Ru(2)-O(5) bond lengths are 1.98 Å. Both Ru(2)-O(6) bond lengths are 2.00 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), two equivalent La(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(3), one La(1), and one Ru(1) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(3), one La(1), and one Ru(2) atom to form distorted corner-sharing OCa2LaRu tetrahedra. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(2), one Ca(3), one La(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(3), one La(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), two equivalent La(1), and one Ru(2) atom.