Materials Data on PrEr3 by Materials Project
Er3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Pr atoms to form ErPr4Er8 cuboctahedra that share corners with four equivalent PrEr12 cuboctahedra, corners with fourteen equivalent ErPr4Er8 cuboctahedra, edges with six equivalent PrEr12 cuboctahedra, edges with twelve ErPr4Er8 cuboctahedra, faces with four equivalent PrEr12 cuboctahedra, and faces with sixteen ErPr4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.53–3.67 Å. There are two shorter (3.57 Å) and two longer (3.62 Å) Er–Pr bond lengths. In the second Er site, Er is bonded to eight equivalent Er and four equivalent Pr atoms to form ErPr4Er8 cuboctahedra that share corners with four equivalent PrEr12 cuboctahedra, corners with fourteen ErPr4Er8 cuboctahedra, edges with six equivalent PrEr12 cuboctahedra, edges with twelve equivalent ErPr4Er8 cuboctahedra, faces with four equivalent PrEr12 cuboctahedra, and faces with sixteen ErPr4Er8 cuboctahedra. There are two shorter (3.57 Å) and two longer (3.62 Å) Er–Pr bond lengths. Pr is bonded to twelve Er atoms to form PrEr12 cuboctahedra that share corners with six equivalent PrEr12 cuboctahedra, corners with twelve ErPr4Er8 cuboctahedra, edges with eighteen ErPr4Er8 cuboctahedra, faces with eight equivalent PrEr12 cuboctahedra, and faces with twelve ErPr4Er8 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:
- 1740137
- Report Number(s):
- mp-1186525
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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