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Title: Materials Data on Yb2NiGe6 by Materials Project

Abstract

Yb2NiGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.31 Å. In the second Yb site, Yb is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Yb–Ni bond lengths are 3.09 Å. There are a spread of Yb–Ge bond distances ranging from 3.06–3.34 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.32–2.41 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Yb, two equivalent Ni, and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.85 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Yb and five Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Yb, two equivalentmore » Ni, and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Yb and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Yb, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.47 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Yb and two equivalent Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1207033
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; Yb2NiGe6; Ge-Ni-Yb
OSTI Identifier:
1687831
DOI:
https://doi.org/10.17188/1687831

Citation Formats

The Materials Project. Materials Data on Yb2NiGe6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687831.
The Materials Project. Materials Data on Yb2NiGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1687831
The Materials Project. 2019. "Materials Data on Yb2NiGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1687831. https://www.osti.gov/servlets/purl/1687831. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687831,
title = {Materials Data on Yb2NiGe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2NiGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.31 Å. In the second Yb site, Yb is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Yb–Ni bond lengths are 3.09 Å. There are a spread of Yb–Ge bond distances ranging from 3.06–3.34 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.32–2.41 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Yb, two equivalent Ni, and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.85 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Yb and five Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Yb, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Yb and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Yb, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.47 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Yb and two equivalent Ge atoms.},
doi = {10.17188/1687831},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}