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Title: Materials Data on Yb5(Ni2Ge5)2 by Materials Project

Abstract

Yb5(Ni2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ni and twelve Ge atoms. All Yb–Ni bond lengths are 3.19 Å. There are eight shorter (2.94 Å) and four longer (3.20 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Ni and eight Ge atoms to form distorted face-sharing YbNi4Ge8 cuboctahedra. All Yb–Ni bond lengths are 3.01 Å. There are a spread of Yb–Ge bond distances ranging from 2.92–3.06 Å. In the third Yb site, Yb is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Yb–Ni bond lengths are 3.31 Å. There are a spread of Yb–Ge bond distances ranging from 3.15–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.50 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.42 Å.more » In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Yb, two equivalent Ni, and three Ge atoms. There are one shorter (2.72 Å) and two longer (2.93 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four Yb, two equivalent Ni, and four Ge atoms. Both Ge–Ge bond lengths are 2.92 Å.« less

Publication Date:
Other Number(s):
mp-1198492
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; Yb5(Ni2Ge5)2; Ge-Ni-Yb
OSTI Identifier:
1663656
DOI:
https://doi.org/10.17188/1663656

Citation Formats

The Materials Project. Materials Data on Yb5(Ni2Ge5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663656.
The Materials Project. Materials Data on Yb5(Ni2Ge5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1663656
The Materials Project. 2020. "Materials Data on Yb5(Ni2Ge5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1663656. https://www.osti.gov/servlets/purl/1663656. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1663656,
title = {Materials Data on Yb5(Ni2Ge5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb5(Ni2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ni and twelve Ge atoms. All Yb–Ni bond lengths are 3.19 Å. There are eight shorter (2.94 Å) and four longer (3.20 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Ni and eight Ge atoms to form distorted face-sharing YbNi4Ge8 cuboctahedra. All Yb–Ni bond lengths are 3.01 Å. There are a spread of Yb–Ge bond distances ranging from 2.92–3.06 Å. In the third Yb site, Yb is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Yb–Ni bond lengths are 3.31 Å. There are a spread of Yb–Ge bond distances ranging from 3.15–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.50 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.42 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Yb, two equivalent Ni, and three Ge atoms. There are one shorter (2.72 Å) and two longer (2.93 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four Yb, two equivalent Ni, and four Ge atoms. Both Ge–Ge bond lengths are 2.92 Å.},
doi = {10.17188/1663656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}