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Title: Materials Data on LaCd11 by Materials Project

Abstract

LaCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of La–Cd bond distances ranging from 3.58–3.88 Å. There are five inequivalent Cd sites. In the first Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent La and six Cd atoms. There are three shorter (2.94 Å) and three longer (2.95 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a distorted q6 geometry to two equivalent La and eight Cd atoms. There are two shorter (2.92 Å) and four longer (3.02 Å) Cd–Cd bond lengths. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to one La and nine Cd atoms. All Cd–Cd bond lengths are 3.13 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one La and nine Cd atoms. The Cd–La bond length is 3.58 Å.

Authors:
Publication Date:
Other Number(s):
mp-1201591
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; LaCd11; Cd-La
OSTI Identifier:
1753530
DOI:
https://doi.org/10.17188/1753530

Citation Formats

The Materials Project. Materials Data on LaCd11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753530.
The Materials Project. Materials Data on LaCd11 by Materials Project. United States. doi:https://doi.org/10.17188/1753530
The Materials Project. 2020. "Materials Data on LaCd11 by Materials Project". United States. doi:https://doi.org/10.17188/1753530. https://www.osti.gov/servlets/purl/1753530. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753530,
title = {Materials Data on LaCd11 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of La–Cd bond distances ranging from 3.58–3.88 Å. There are five inequivalent Cd sites. In the first Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent La and six Cd atoms. There are three shorter (2.94 Å) and three longer (2.95 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a distorted q6 geometry to two equivalent La and eight Cd atoms. There are two shorter (2.92 Å) and four longer (3.02 Å) Cd–Cd bond lengths. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to one La and nine Cd atoms. All Cd–Cd bond lengths are 3.13 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one La and nine Cd atoms. The Cd–La bond length is 3.58 Å.},
doi = {10.17188/1753530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}