Materials Data on SiNi2P by Materials Project
Ni2SiP crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded in a 6-coordinate geometry to four equivalent Si4- and two equivalent P1- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.40 Å. There are one shorter (2.33 Å) and one longer (2.34 Å) Ni–P bond lengths. In the second Ni+2.50+ site, Ni+2.50+ is bonded in a 6-coordinate geometry to two equivalent Si4- and four equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.32 Å) Ni–Si bond lengths. There are a spread of Ni–P bond distances ranging from 2.24–2.91 Å. Si4- is bonded in a 8-coordinate geometry to six Ni+2.50+, one Si4-, and one P1- atom. The Si–Si bond length is 2.60 Å. The Si–P bond length is 2.59 Å. P1- is bonded in a 7-coordinate geometry to six Ni+2.50+ and one Si4- 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:
- 1262921
- Report Number(s):
- mp-510422
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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