Materials Data on Ba(GeAs)2 by Materials Project
Ba(GeAs)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. There are four shorter (3.54 Å) and four longer (3.61 Å) Ba–As bond lengths. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. There are four shorter (3.42 Å) and four longer (3.49 Å) Ba–As bond lengths. There are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a water-like geometry to two equivalent As3- atoms. Both Ge–As bond lengths are 2.46 Å. In the second Ge2+ site, Ge2+ is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Both Ge–As bond lengths are 2.46 Å. As3- is bonded in a 6-coordinate geometry to four Ba2+ and two Ge2+ 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:
- 1201986
- Report Number(s):
- mp-27810
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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