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Title: Materials Data on Ce3Ga4Cl by Materials Project

Abstract

Ce3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of Ce–Ga bond distances ranging from 3.11–3.41 Å. Both Ce–Cl bond lengths are 3.01 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All Ce–Ga bond lengths are 3.14 Å. Both Ce–Cl bond lengths are 2.78 Å. Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. Cl is bonded to six Ce atoms to form corner-sharing ClCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

Publication Date:
Other Number(s):
mp-30278
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; Ce3Ga4Cl; Ce-Cl-Ga
OSTI Identifier:
1204705
DOI:
10.17188/1204705

Citation Formats

The Materials Project. Materials Data on Ce3Ga4Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204705.
The Materials Project. Materials Data on Ce3Ga4Cl by Materials Project. United States. doi:10.17188/1204705.
The Materials Project. 2020. "Materials Data on Ce3Ga4Cl by Materials Project". United States. doi:10.17188/1204705. https://www.osti.gov/servlets/purl/1204705. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204705,
title = {Materials Data on Ce3Ga4Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of Ce–Ga bond distances ranging from 3.11–3.41 Å. Both Ce–Cl bond lengths are 3.01 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All Ce–Ga bond lengths are 3.14 Å. Both Ce–Cl bond lengths are 2.78 Å. Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. Cl is bonded to six Ce atoms to form corner-sharing ClCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.},
doi = {10.17188/1204705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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