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Title: Materials Data on Ho2ZnCuSi2 by Materials Project

Abstract

Ho2CuZnSi2 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to two equivalent Cu, four equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn4Cu2Si6 cuboctahedra. Both Ho–Cu bond lengths are 3.05 Å. All Ho–Zn bond lengths are 3.08 Å. There are four shorter (3.09 Å) and two longer (3.13 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to four equivalent Cu, two equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn2Cu4Si6 cuboctahedra. All Ho–Cu bond lengths are 3.07 Å. Both Ho–Zn bond lengths are 3.11 Å. There are two shorter (3.03 Å) and four longer (3.07 Å) Ho–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are one shorter (2.30 Å) and two longer (2.32 Å) Cu–Si bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Ho and three Si atoms. There are one shorter (2.37 Å) and two longer (2.38 Å) Zn–Si bond lengths. There are two inequivalentmore » Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to six Ho, two equivalent Cu, and one Zn atom. In the second Si site, Si is bonded in a 2-coordinate geometry to six Ho, one Cu, and two equivalent Zn atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1223928
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho2ZnCuSi2; Cu-Ho-Si-Zn
OSTI Identifier:
1724840
DOI:
https://doi.org/10.17188/1724840

Citation Formats

The Materials Project. Materials Data on Ho2ZnCuSi2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724840.
The Materials Project. Materials Data on Ho2ZnCuSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1724840
The Materials Project. 2019. "Materials Data on Ho2ZnCuSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1724840. https://www.osti.gov/servlets/purl/1724840. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1724840,
title = {Materials Data on Ho2ZnCuSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2CuZnSi2 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to two equivalent Cu, four equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn4Cu2Si6 cuboctahedra. Both Ho–Cu bond lengths are 3.05 Å. All Ho–Zn bond lengths are 3.08 Å. There are four shorter (3.09 Å) and two longer (3.13 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to four equivalent Cu, two equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn2Cu4Si6 cuboctahedra. All Ho–Cu bond lengths are 3.07 Å. Both Ho–Zn bond lengths are 3.11 Å. There are two shorter (3.03 Å) and four longer (3.07 Å) Ho–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are one shorter (2.30 Å) and two longer (2.32 Å) Cu–Si bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Ho and three Si atoms. There are one shorter (2.37 Å) and two longer (2.38 Å) Zn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to six Ho, two equivalent Cu, and one Zn atom. In the second Si site, Si is bonded in a 2-coordinate geometry to six Ho, one Cu, and two equivalent Zn atoms.},
doi = {10.17188/1724840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}