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Title: Materials Data on Ce2Ga12Pd by Materials Project

Abstract

Ce2PdGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.21–3.41 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. The Ga–Ga bond length is 2.59 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.

Publication Date:
Other Number(s):
mp-568885
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ce2Ga12Pd; Ce-Ga-Pd
OSTI Identifier:
1274789
DOI:
10.17188/1274789

Citation Formats

The Materials Project. Materials Data on Ce2Ga12Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274789.
The Materials Project. Materials Data on Ce2Ga12Pd by Materials Project. United States. doi:10.17188/1274789.
The Materials Project. 2020. "Materials Data on Ce2Ga12Pd by Materials Project". United States. doi:10.17188/1274789. https://www.osti.gov/servlets/purl/1274789. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274789,
title = {Materials Data on Ce2Ga12Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2PdGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.21–3.41 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. The Ga–Ga bond length is 2.59 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.},
doi = {10.17188/1274789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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