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Title: Materials Data on Tb(AlSi)2 by Materials Project

Abstract

TbAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Si atoms to form distorted TbSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent TbSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Tb–Si bond lengths are 2.98 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent TbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.51 Å) and one longer (2.53 Å) Al–Si bond lengths. Si is bonded to three equivalent Tb and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiTb3Al4 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-10436
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; Tb(AlSi)2; Al-Si-Tb
OSTI Identifier:
1187119
DOI:
https://doi.org/10.17188/1187119

Citation Formats

The Materials Project. Materials Data on Tb(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187119.
The Materials Project. Materials Data on Tb(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1187119
The Materials Project. 2020. "Materials Data on Tb(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1187119. https://www.osti.gov/servlets/purl/1187119. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187119,
title = {Materials Data on Tb(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Si atoms to form distorted TbSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent TbSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Tb–Si bond lengths are 2.98 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent TbSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent TbSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.51 Å) and one longer (2.53 Å) Al–Si bond lengths. Si is bonded to three equivalent Tb and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiTb3Al4 pentagonal bipyramids.},
doi = {10.17188/1187119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}