Materials Data on Ba2GeAs2 by Materials Project
Ba2GeAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Ba–As bond distances ranging from 3.29–3.72 Å. In the second Ba2+ site, Ba2+ is bonded to six As3- atoms to form edge-sharing BaAs6 octahedra. There are a spread of Ba–As bond distances ranging from 3.33–3.53 Å. Ge2+ is bonded in a bent 120 degrees geometry to two As3- atoms. There are one shorter (2.43 Å) and one longer (2.44 Å) Ge–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Ba2+ and one Ge2+ atom to form a mixture of distorted corner and edge-sharing AsBa6Ge pentagonal bipyramids. In the second As3- site, As3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ 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:
- 1307957
- Report Number(s):
- mp-8195
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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