Materials Data on SrCe3 by Materials Project
SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve Ce atoms to form SrCe12 cuboctahedra that share corners with six equivalent SrCe12 cuboctahedra, corners with twelve equivalent CeSr4Ce8 cuboctahedra, edges with eighteen CeSr4Ce8 cuboctahedra, faces with eight equivalent SrCe12 cuboctahedra, and faces with twelve CeSr4Ce8 cuboctahedra. All Sr–Ce bond lengths are 3.69 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sr and eight Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.38–4.00 Å. In the second Ce site, Ce is bonded to four equivalent Sr and eight equivalent Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve equivalent CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra.
- 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:
- 1313798
- Report Number(s):
- mp-972286
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Sr3Ce by Materials Project
Materials Data on SrTh3 by Materials Project