Materials Data on CaYb3 by Materials Project
Abstract
CaYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Yb atoms to form CaYb12 cuboctahedra that share corners with six equivalent CaYb12 cuboctahedra, corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eighteen equivalent YbCa4Yb8 cuboctahedra, faces with eight equivalent CaYb12 cuboctahedra, and faces with twelve equivalent YbCa4Yb8 cuboctahedra. There are six shorter (3.84 Å) and six longer (3.93 Å) Ca–Yb bond lengths. Yb is bonded to four equivalent Ca and eight equivalent Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with four equivalent CaYb12 cuboctahedra, corners with fourteen equivalent YbCa4Yb8 cuboctahedra, edges with six equivalent CaYb12 cuboctahedra, edges with twelve equivalent YbCa4Yb8 cuboctahedra, faces with four equivalent CaYb12 cuboctahedra, and faces with sixteen equivalent YbCa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.84–3.94 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1183611
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CaYb3; Ca-Yb
- OSTI Identifier:
- 1721901
- DOI:
- https://doi.org/10.17188/1721901
Citation Formats
The Materials Project. Materials Data on CaYb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721901.
The Materials Project. Materials Data on CaYb3 by Materials Project. United States. doi:https://doi.org/10.17188/1721901
The Materials Project. 2020.
"Materials Data on CaYb3 by Materials Project". United States. doi:https://doi.org/10.17188/1721901. https://www.osti.gov/servlets/purl/1721901. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1721901,
title = {Materials Data on CaYb3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Yb atoms to form CaYb12 cuboctahedra that share corners with six equivalent CaYb12 cuboctahedra, corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eighteen equivalent YbCa4Yb8 cuboctahedra, faces with eight equivalent CaYb12 cuboctahedra, and faces with twelve equivalent YbCa4Yb8 cuboctahedra. There are six shorter (3.84 Å) and six longer (3.93 Å) Ca–Yb bond lengths. Yb is bonded to four equivalent Ca and eight equivalent Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with four equivalent CaYb12 cuboctahedra, corners with fourteen equivalent YbCa4Yb8 cuboctahedra, edges with six equivalent CaYb12 cuboctahedra, edges with twelve equivalent YbCa4Yb8 cuboctahedra, faces with four equivalent CaYb12 cuboctahedra, and faces with sixteen equivalent YbCa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.84–3.94 Å.},
doi = {10.17188/1721901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}