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Title: Materials Data on Tb4Ga12Pd by Materials Project

Abstract

Tb4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent TbGa12 cuboctahedra, faces with six equivalent TbGa12 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.09 Å) Tb–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share faces with eight equivalent TbGa12 cuboctahedra. All Pd–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Tb, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ga atoms. All Ga–Ga bond lengths are 3.06 Å.

Publication Date:
Other Number(s):
mp-571331
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; Tb4Ga12Pd; Ga-Pd-Tb
OSTI Identifier:
1276205
DOI:
10.17188/1276205

Citation Formats

The Materials Project. Materials Data on Tb4Ga12Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276205.
The Materials Project. Materials Data on Tb4Ga12Pd by Materials Project. United States. doi:10.17188/1276205.
The Materials Project. 2020. "Materials Data on Tb4Ga12Pd by Materials Project". United States. doi:10.17188/1276205. https://www.osti.gov/servlets/purl/1276205. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1276205,
title = {Materials Data on Tb4Ga12Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Tb4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent TbGa12 cuboctahedra, faces with six equivalent TbGa12 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.09 Å) Tb–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share faces with eight equivalent TbGa12 cuboctahedra. All Pd–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Tb, one Pd, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ga atoms. All Ga–Ga bond lengths are 3.06 Å.},
doi = {10.17188/1276205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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