DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tb2ZnCuSi2 by Materials Project

Abstract

Tb2CuZnSi2 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to two equivalent Cu, four equivalent Zn, and six Si atoms to form a mixture of face and edge-sharing TbZn4Cu2Si6 cuboctahedra. Both Tb–Cu bond lengths are 3.08 Å. All Tb–Zn bond lengths are 3.11 Å. There are four shorter (3.11 Å) and two longer (3.16 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded to four equivalent Cu, two equivalent Zn, and six Si atoms to form a mixture of face and edge-sharing TbZn2Cu4Si6 cuboctahedra. All Tb–Cu bond lengths are 3.10 Å. Both Tb–Zn bond lengths are 3.13 Å. There are two shorter (3.06 Å) and four longer (3.10 Å) Tb–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Tb and three Si atoms. There are one shorter (2.32 Å) and two longer (2.33 Å) Cu–Si bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Tb and three Si atoms. All Zn–Si bond lengths are 2.39 Å. There are two inequivalent Si sites. In the first Si site,more » Si is bonded in a 1-coordinate geometry to six Tb, two equivalent Cu, and one Zn atom. In the second Si site, Si is bonded in a 2-coordinate geometry to six Tb, one Cu, and two equivalent Zn atoms.« less

Publication Date:
Other Number(s):
mp-1217688
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; Tb2ZnCuSi2; Cu-Si-Tb-Zn
OSTI Identifier:
1729939
DOI:
https://doi.org/10.17188/1729939

Citation Formats

The Materials Project. Materials Data on Tb2ZnCuSi2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729939.
The Materials Project. Materials Data on Tb2ZnCuSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1729939
The Materials Project. 2019. "Materials Data on Tb2ZnCuSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1729939. https://www.osti.gov/servlets/purl/1729939. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729939,
title = {Materials Data on Tb2ZnCuSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2CuZnSi2 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to two equivalent Cu, four equivalent Zn, and six Si atoms to form a mixture of face and edge-sharing TbZn4Cu2Si6 cuboctahedra. Both Tb–Cu bond lengths are 3.08 Å. All Tb–Zn bond lengths are 3.11 Å. There are four shorter (3.11 Å) and two longer (3.16 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded to four equivalent Cu, two equivalent Zn, and six Si atoms to form a mixture of face and edge-sharing TbZn2Cu4Si6 cuboctahedra. All Tb–Cu bond lengths are 3.10 Å. Both Tb–Zn bond lengths are 3.13 Å. There are two shorter (3.06 Å) and four longer (3.10 Å) Tb–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Tb and three Si atoms. There are one shorter (2.32 Å) and two longer (2.33 Å) Cu–Si bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Tb and three Si atoms. All Zn–Si bond lengths are 2.39 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to six Tb, two equivalent Cu, and one Zn atom. In the second Si site, Si is bonded in a 2-coordinate geometry to six Tb, one Cu, and two equivalent Zn atoms.},
doi = {10.17188/1729939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}