Materials Data on Rb2As3 by Materials Project
Rb2As3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight As+0.67- atoms to form a mixture of face, edge, and corner-sharing RbAs8 hexagonal bipyramids. There are four shorter (3.72 Å) and four longer (3.77 Å) Rb–As bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten As+0.67- atoms. There are six shorter (3.63 Å) and four longer (3.75 Å) Rb–As bond lengths. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two As+0.67- atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As+0.67- 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:
- 1191235
- Report Number(s):
- mp-15556
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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