Y2Co17H3 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a distorted trigonal planar geometry to one Co(4), three equivalent Co(1), and three equivalent H(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Y(1), two equivalent Co(4), four equivalent Co(2), and four equivalent Co(3) atoms to form distorted CoY2Co10 cuboctahedra that share corners with four equivalent Co(1)Y2Co10 cuboctahedra, corners with two equivalent H(1)Y2Co4 octahedra, faces with four equivalent Co(1)Y2Co10 cuboctahedra, and faces with four equivalent H(1)Y2Co4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Co site, Co(2) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(4), and one H(1) atom. In the third Co site, Co(3) is bonded in a single-bond geometry to one Co(4), two equivalent Co(1), and one H(1) atom. In the fourth Co site, Co(4) is bonded in a 14-coordinate geometry to one Y(1), one Co(4), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. H(1) is bonded to two equivalent Y(1), two equivalent Co(2), and two equivalent Co(3) atoms to form HY2Co4 octahedra that share corners with two equivalent Co(1)Y2Co10 cuboctahedra, corners with four equivalent H(1)Y2Co4 octahedra, and faces with four equivalent Co(1)Y2Co10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
Y2Co17H3 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a distorted trigonal planar geometry to one Co(4), three equivalent Co(1), and three equivalent H(1) atoms. The Y(1)-Co(4) bond length is 2.99 Å. All Y(1)-Co(1) bond lengths are 3.23 Å. All Y(1)-H(1) bond lengths are 2.42 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Y(1), two equivalent Co(4), four equivalent Co(2), and four equivalent Co(3) atoms to form distorted CoY2Co10 cuboctahedra that share corners with four equivalent Co(1)Y2Co10 cuboctahedra, corners with two equivalent H(1)Y2Co4 octahedra, faces with four equivalent Co(1)Y2Co10 cuboctahedra, and faces with four equivalent H(1)Y2Co4 octahedra. The corner-sharing octahedral tilt angles are 44°. Both Co(1)-Co(4) bond lengths are 2.57 Å. All Co(1)-Co(2) bond lengths are 2.37 Å. All Co(1)-Co(3) bond lengths are 2.41 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(4), and one H(1) atom. Both Co(2)-Co(4) bond lengths are 2.65 Å. The Co(2)-H(1) bond length is 1.81 Å. In the third Co site, Co(3) is bonded in a single-bond geometry to one Co(4), two equivalent Co(1), and one H(1) atom. The Co(3)-Co(4) bond length is 2.60 Å. The Co(3)-H(1) bond length is 1.83 Å. In the fourth Co site, Co(4) is bonded in a 14-coordinate geometry to one Y(1), one Co(4), three equivalent Co(1), three equivalent Co(3), and six equivalent Co(2) atoms. The Co(4)-Co(4) bond length is 2.32 Å. H(1) is bonded to two equivalent Y(1), two equivalent Co(2), and two equivalent Co(3) atoms to form HY2Co4 octahedra that share corners with two equivalent Co(1)Y2Co10 cuboctahedra, corners with four equivalent H(1)Y2Co4 octahedra, and faces with four equivalent Co(1)Y2Co10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.