YbH2 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 11-coordinate geometry to five equivalent H(1) and six equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded to six equivalent Yb(1) atoms to form HYb6 octahedra that share corners with twelve equivalent H(2)Yb6 octahedra, corners with twelve equivalent H(1)Yb5 trigonal bipyramids, edges with six equivalent H(2)Yb6 octahedra, faces with two equivalent H(2)Yb6 octahedra, and faces with six equivalent H(1)Yb5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-52°. In the second H site, H(1) is bonded to five equivalent Yb(1) atoms to form HYb5 trigonal bipyramids that share corners with twelve equivalent H(2)Yb6 octahedra, corners with eight equivalent H(1)Yb5 trigonal bipyramids, edges with six equivalent H(1)Yb5 trigonal bipyramids, and faces with six equivalent H(2)Yb6 octahedra. The corner-sharing octahedral tilt angles range from 29-60°.
YbH2 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 11-coordinate geometry to five equivalent H(1) and six equivalent H(2) atoms. There are a spread of Yb(1)-H(1) bond distances ranging from 2.16-2.54 Å. There are a spread of Yb(1)-H(2) bond distances ranging from 2.48-2.51 Å. There are two inequivalent H sites. In the first H site, H(2) is bonded to six equivalent Yb(1) atoms to form HYb6 octahedra that share corners with twelve equivalent H(2)Yb6 octahedra, corners with twelve equivalent H(1)Yb5 trigonal bipyramids, edges with six equivalent H(2)Yb6 octahedra, faces with two equivalent H(2)Yb6 octahedra, and faces with six equivalent H(1)Yb5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-52°. In the second H site, H(1) is bonded to five equivalent Yb(1) atoms to form HYb5 trigonal bipyramids that share corners with twelve equivalent H(2)Yb6 octahedra, corners with eight equivalent H(1)Yb5 trigonal bipyramids, edges with six equivalent H(1)Yb5 trigonal bipyramids, and faces with six equivalent H(2)Yb6 octahedra. The corner-sharing octahedral tilt angles range from 29-60°.