DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on La2Cd17 by Materials Project

Abstract

La2Cd17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eighteen Cd atoms. There are a spread of La–Cd bond distances ranging from 3.55–3.98 Å. In the second La site, La is bonded in a 8-coordinate geometry to twenty Cd atoms. There are a spread of La–Cd bond distances ranging from 3.50–3.87 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 1-coordinate geometry to one La and thirteen Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.04–3.40 Å. In the second Cd site, Cd is bonded to two equivalent La and ten Cd atoms to form a mixture of corner, edge, and face-sharing CdLa2Cd10 cuboctahedra. There are four shorter (2.98 Å) and four longer (3.02 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded to two La and ten Cd atoms to form a mixture of distorted corner, edge, and face-sharing CdLa2Cd10 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.95–3.19 Å. In the fourth Cd site, Cd is bonded inmore » a 12-coordinate geometry to three La and nine Cd atoms. Both Cd–Cd bond lengths are 2.89 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-30489
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; La2Cd17; Cd-La
OSTI Identifier:
1204893
DOI:
https://doi.org/10.17188/1204893

Citation Formats

The Materials Project. Materials Data on La2Cd17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204893.
The Materials Project. Materials Data on La2Cd17 by Materials Project. United States. doi:https://doi.org/10.17188/1204893
The Materials Project. 2020. "Materials Data on La2Cd17 by Materials Project". United States. doi:https://doi.org/10.17188/1204893. https://www.osti.gov/servlets/purl/1204893. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204893,
title = {Materials Data on La2Cd17 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Cd17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eighteen Cd atoms. There are a spread of La–Cd bond distances ranging from 3.55–3.98 Å. In the second La site, La is bonded in a 8-coordinate geometry to twenty Cd atoms. There are a spread of La–Cd bond distances ranging from 3.50–3.87 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 1-coordinate geometry to one La and thirteen Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.04–3.40 Å. In the second Cd site, Cd is bonded to two equivalent La and ten Cd atoms to form a mixture of corner, edge, and face-sharing CdLa2Cd10 cuboctahedra. There are four shorter (2.98 Å) and four longer (3.02 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded to two La and ten Cd atoms to form a mixture of distorted corner, edge, and face-sharing CdLa2Cd10 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.95–3.19 Å. In the fourth Cd site, Cd is bonded in a 12-coordinate geometry to three La and nine Cd atoms. Both Cd–Cd bond lengths are 2.89 Å.},
doi = {10.17188/1204893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}