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

Title: Materials Data on Yb5Si4 by Materials Project

Abstract

Yb5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.12 Å. In the second Yb site, Yb is bonded to six Si atoms to form a mixture of distorted corner, edge, and face-sharing YbSi6 octahedra. The corner-sharing octahedra tilt angles range from 38–47°. There are a spread of Yb–Si bond distances ranging from 3.10–3.26 Å. In the third Yb site, Yb is bonded to six Si atoms to form a mixture of distorted corner and face-sharing YbSi6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Yb–Si bond distances ranging from 3.01–3.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Yb and one Si atom. The Si–Si bond length is 2.37 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Yb and one Si atom. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded inmore » a 9-coordinate geometry to eight Yb and one Si atom.« less

Publication Date:
Other Number(s):
mp-20101
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; Yb5Si4; Si-Yb
OSTI Identifier:
1195249
DOI:
https://doi.org/10.17188/1195249

Citation Formats

The Materials Project. Materials Data on Yb5Si4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195249.
The Materials Project. Materials Data on Yb5Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1195249
The Materials Project. 2020. "Materials Data on Yb5Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1195249. https://www.osti.gov/servlets/purl/1195249. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1195249,
title = {Materials Data on Yb5Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.12 Å. In the second Yb site, Yb is bonded to six Si atoms to form a mixture of distorted corner, edge, and face-sharing YbSi6 octahedra. The corner-sharing octahedra tilt angles range from 38–47°. There are a spread of Yb–Si bond distances ranging from 3.10–3.26 Å. In the third Yb site, Yb is bonded to six Si atoms to form a mixture of distorted corner and face-sharing YbSi6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Yb–Si bond distances ranging from 3.01–3.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Yb and one Si atom. The Si–Si bond length is 2.37 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Yb and one Si atom. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Yb and one Si atom.},
doi = {10.17188/1195249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}