Materials Data on Rb5(TmI4)3 by Materials Project
Rb5(TmI4)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six equivalent I atoms. All Rb–I bond lengths are 3.74 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of Rb–I bond distances ranging from 3.65–3.93 Å. Tm is bonded to six I atoms to form edge-sharing TmI6 octahedra. There are a spread of Tm–I bond distances ranging from 3.05–3.09 Å. There are three inequivalent I sites. In the first I site, I is bonded to two equivalent Rb and two equivalent Tm atoms to form distorted corner-sharing IRb2Tm2 trigonal pyramids. In the second I site, I is bonded in a 3-coordinate geometry to one Rb and two equivalent Tm atoms. In the third I site, I is bonded in a 5-coordinate geometry to four Rb and one Tm atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1739591
- Report Number(s):
- mp-1209348
- Country of Publication:
- United States
- Language:
- English
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