Materials Data on Eu3As4 by Materials Project
Eu3As4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight As+1.50- atoms to form corner-sharing EuAs8 hexagonal bipyramids. There are a spread of Eu–As bond distances ranging from 3.09–3.22 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.07–3.18 Å. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.06–3.20 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.08–3.23 Å. In the fifth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.06–3.19 Å. In the sixth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.07–3.20 Å. There are eight inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. There are one shorter (2.47 Å) and one longer (2.61 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. The As–As bond length is 2.54 Å. In the third As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. There are one shorter (2.45 Å) and one longer (2.59 Å) As–As bond lengths. In the fourth As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. In the fifth As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. The As–As bond length is 2.54 Å. In the sixth As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. In the seventh As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. In the eighth As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom.
- 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:
- 1277617
- Report Number(s):
- mp-608321
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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