Materials Data on Er6I7 by Materials Project
Er6I7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to four I atoms. There are a spread of Er–I bond distances ranging from 2.99–3.29 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to three I atoms. There are two shorter (3.20 Å) and one longer (3.27 Å) Er–I bond lengths. In the third Er site, Er is bonded in a 4-coordinate geometry to five I atoms. There are a spread of Er–I bond distances ranging from 3.04–3.88 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the second I site, I is bonded in a 4-coordinate geometry to four Er atoms. In the third I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the fourth I site, I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er atoms.
- 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:
- 1276167
- Report Number(s):
- mp-571258
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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