Materials Data on ErCoSi3 by Materials Project
ErCoSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Er–Si bond distances ranging from 2.95–3.12 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are a spread of Co–Si bond distances ranging from 2.24–2.27 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Co1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.78 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Er3+, one Co1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.43 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Co1+, and five Si+1.33- atoms. The Si–Si bond length is 2.37 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:
- 1711712
- Report Number(s):
- mp-1205515
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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