Materials Data on Cs2PdI6 by Materials Project
Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.06 Å. Pd4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.66 Å) and two longer (3.23 Å) Pd–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd4+ atom. In the second I1- site, I1- is bonded in a distorted linear geometry to one Pd4+ and one I1- atom. The I–I bond length is 2.88 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1204260
- Report Number(s):
- mp-29806
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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