Materials Data on SrNi5As3 by Materials Project
SrNi5As3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven As3- atoms. There are a spread of Sr–As bond distances ranging from 3.17–3.40 Å. There are three inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.30–2.44 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Ni–As bond lengths are 2.44 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.39–2.42 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Sr2+ and seven Ni+1.40+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to three equivalent Sr2+ and six Ni+1.40+ 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:
- 1192486
- Report Number(s):
- mp-17396
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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