Materials Data on Er2Se3 by Materials Project
Er2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.83–3.26 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.86 Å) and four longer (3.10 Å) Er–Se bond lengths. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.86–3.21 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Er3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeEr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Er3+ atoms. In the third Se2- site, Se2- is bonded to five Er3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeEr5 square pyramids.
- 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:
- 1206365
- Report Number(s):
- mp-32736
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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