Materials Data on BaAs2Pt by Materials Project
BaPtAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten As3- atoms. There are a spread of Ba–As bond distances ranging from 3.44–3.52 Å. Pt4+ is bonded in a 5-coordinate geometry to five As3- atoms. There are three shorter (2.58 Å) and two longer (2.61 Å) Pt–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to six equivalent Ba2+, one Pt4+, and two equivalent As3- atoms. Both As–As bond lengths are 2.70 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Pt4+ 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:
- 1315458
- Report Number(s):
- mp-9769
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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