10.17188/1187614
None Available
Materials Data on SiNi2 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
SiNi2
Ni-Si
The Materials Project
2020
en
Ni2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 4-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.72 Å. In the second Ni2+ site, Ni2+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi5 square pyramids. There are a spread of Ni–Si bond distances ranging from 2.34–2.58 Å. Si4- is bonded in a 10-coordinate geometry to ten Ni2+ atoms.