Materials Data on NaYSi by Materials Project
NaYSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded in a 10-coordinate geometry to four equivalent Y3+ and six equivalent Si4- atoms. All Na–Y bond lengths are 2.97 Å. All Na–Si bond lengths are 3.44 Å. Y3+ is bonded to four equivalent Na1+ and four equivalent Si4- atoms to form distorted YNa4Si4 tetrahedra that share corners with twelve equivalent SiNa6Y4 tetrahedra, edges with twelve equivalent YNa4Si4 tetrahedra, and faces with four equivalent SiNa6Y4 tetrahedra. All Y–Si bond lengths are 2.97 Å. Si4- is bonded to six equivalent Na1+ and four equivalent Y3+ atoms to form distorted SiNa6Y4 tetrahedra that share corners with six equivalent SiNa6Y4 tetrahedra, corners with twelve equivalent YNa4Si4 tetrahedra, faces with four equivalent YNa4Si4 tetrahedra, and faces with twelve equivalent SiNa6Y4 tetrahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1313461
- Report Number(s):
- mp-962060
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on YSeCl by Materials Project
Materials Data on NaLiPt by Materials Project
Materials Data on SrCaSi by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1313459
Materials Data on NaLiPt by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1313430
Materials Data on SrCaSi by Materials Project
Dataset
·
Thu May 11 00:00:00 EDT 2017
·
OSTI ID:1313458