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Title: Materials Data on SmCd11 by Materials Project

Abstract

SmCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.54–3.86 Å. There are six inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. There are four shorter (2.99 Å) and five longer (3.14 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the third Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Sm and six Cd atoms. All Cd–Cd bond lengths are 2.93 Å. In the fourth Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Sm and eight Cd atoms. There are two shorter (2.92 Å) and four longer (2.99 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to one Smmore » and nine Cd atoms. The Cd–Cd bond length is 3.14 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1203399
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; SmCd11; Cd-Sm
OSTI Identifier:
1745928
DOI:
https://doi.org/10.17188/1745928

Citation Formats

The Materials Project. Materials Data on SmCd11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745928.
The Materials Project. Materials Data on SmCd11 by Materials Project. United States. doi:https://doi.org/10.17188/1745928
The Materials Project. 2020. "Materials Data on SmCd11 by Materials Project". United States. doi:https://doi.org/10.17188/1745928. https://www.osti.gov/servlets/purl/1745928. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1745928,
title = {Materials Data on SmCd11 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.54–3.86 Å. There are six inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. There are four shorter (2.99 Å) and five longer (3.14 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the third Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Sm and six Cd atoms. All Cd–Cd bond lengths are 2.93 Å. In the fourth Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Sm and eight Cd atoms. There are two shorter (2.92 Å) and four longer (2.99 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. The Cd–Cd bond length is 3.14 Å.},
doi = {10.17188/1745928},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}