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Title: 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}
}