Materials Data on Cs2TmH4 by Materials Project
Cs2TmH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine H atoms. There are a spread of Cs–H bond distances ranging from 3.13–3.40 Å. Tm is bonded to six H atoms to form corner-sharing TmH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.18 Å) and four longer (2.20 Å) Tm–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to four equivalent Cs and two equivalent Tm atoms. In the second H site, H is bonded in a distorted single-bond geometry to five equivalent Cs and one Tm atom.
36 MATERIALS SCIENCE↗