Y2SiCO7 is Zircon-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second Y site, Y(2) 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. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Y(2) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Si(1) atom to form distorted edge-sharing OY3Si tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Si(1) atom.
Y2SiCO7 is Zircon-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. The Y(1)-O(2) bond length is 2.46 Å. The Y(1)-O(3) bond length is 2.41 Å. The Y(1)-O(4) bond length is 2.39 Å. The Y(1)-O(5) bond length is 2.27 Å. The Y(1)-O(6) bond length is 2.36 Å. There is one shorter (2.27 Å) and one longer (2.38 Å) Y(1)-O(7) bond length. In the second Y site, Y(2) 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 Y(2)-O(2) bond length is 2.46 Å. The Y(2)-O(3) bond length is 2.36 Å. The Y(2)-O(4) bond length is 2.50 Å. The Y(2)-O(5) bond length is 2.34 Å. There is one shorter (2.31 Å) and one longer (2.41 Å) Y(2)-O(1) bond length. There is one shorter (2.41 Å) and one longer (2.47 Å) Y(2)-O(6) bond length. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. The Si(1)-O(1) bond length is 1.64 Å. The Si(1)-O(5) bond length is 1.65 Å. The Si(1)-O(6) bond length is 1.68 Å. The Si(1)-O(7) bond length is 1.63 Å. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.31 Å. The C(1)-O(4) bond length is 1.29 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Y(2) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Si(1) atom to form distorted edge-sharing OY3Si tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Si(1) atom.