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Title: Materials Data on La4CdRu by Materials Project

Abstract

La4RuCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All La–Ru bond lengths are 3.00 Å. All La–Cd bond lengths are 3.66 Å. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent Cd atoms. Both La–Ru bond lengths are 2.86 Å. Both La–Cd bond lengths are 3.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Cd atoms. Both La–Ru bond lengths are 3.61 Å. Both La–Cd bond lengths are 3.46 Å. Ru is bonded in a 6-coordinate geometry to nine La atoms. Cd is bonded to nine La and three equivalent Cd atoms to form a mixture of corner and face-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.18 Å.

Authors:
Publication Date:
Other Number(s):
mp-570820
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; La4CdRu; Cd-La-Ru
OSTI Identifier:
1275925
DOI:
https://doi.org/10.17188/1275925

Citation Formats

The Materials Project. Materials Data on La4CdRu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275925.
The Materials Project. Materials Data on La4CdRu by Materials Project. United States. doi:https://doi.org/10.17188/1275925
The Materials Project. 2020. "Materials Data on La4CdRu by Materials Project". United States. doi:https://doi.org/10.17188/1275925. https://www.osti.gov/servlets/purl/1275925. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1275925,
title = {Materials Data on La4CdRu by Materials Project},
author = {The Materials Project},
abstractNote = {La4RuCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All La–Ru bond lengths are 3.00 Å. All La–Cd bond lengths are 3.66 Å. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent Cd atoms. Both La–Ru bond lengths are 2.86 Å. Both La–Cd bond lengths are 3.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Cd atoms. Both La–Ru bond lengths are 3.61 Å. Both La–Cd bond lengths are 3.46 Å. Ru is bonded in a 6-coordinate geometry to nine La atoms. Cd is bonded to nine La and three equivalent Cd atoms to form a mixture of corner and face-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.18 Å.},
doi = {10.17188/1275925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}