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Title: Materials Data on Ce2Ga7Pd by Materials Project

Abstract

Ce2PdGa7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Ce–Pd bond lengths are 3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.28–3.39 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.28–3.48 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.51 Å) Pd–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Ce and four Ga atoms. There are two shorter (2.59 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to fourmore » equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.44 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. In the fifth Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms.« less

Publication Date:
Other Number(s):
mp-1226980
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; Ce2Ga7Pd; Ce-Ga-Pd
OSTI Identifier:
1751079
DOI:
https://doi.org/10.17188/1751079

Citation Formats

The Materials Project. Materials Data on Ce2Ga7Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751079.
The Materials Project. Materials Data on Ce2Ga7Pd by Materials Project. United States. doi:https://doi.org/10.17188/1751079
The Materials Project. 2020. "Materials Data on Ce2Ga7Pd by Materials Project". United States. doi:https://doi.org/10.17188/1751079. https://www.osti.gov/servlets/purl/1751079. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751079,
title = {Materials Data on Ce2Ga7Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2PdGa7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and twelve Ga atoms. All Ce–Pd bond lengths are 3.37 Å. There are a spread of Ce–Ga bond distances ranging from 3.28–3.39 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.28–3.48 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.51 Å) Pd–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four Ce, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Ce and four Ga atoms. There are two shorter (2.59 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.44 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. In the fifth Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ce, one Pd, and four equivalent Ga atoms.},
doi = {10.17188/1751079},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}