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Title: Materials Data on LiYb8Ge13 by Materials Project

Abstract

LiYb8Ge13 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to three Yb and five Ge atoms. There are a spread of Li–Yb bond distances ranging from 2.84–3.08 Å. There are a spread of Li–Ge bond distances ranging from 2.45–2.88 Å. There are eight inequivalent Yb sites. In the first Yb site, Yb is bonded in a 1-coordinate geometry to one Li and seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.77–3.31 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.01–3.36 Å. In the third Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.77–3.25 Å. In the fourth Yb site, Yb is bonded in a 1-coordinate geometry to one Li and seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.79–3.68 Å. In the fifth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread ofmore » Yb–Ge bond distances ranging from 3.05–3.48 Å. In the sixth Yb site, Yb is bonded in a 3-coordinate geometry to one Li and seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.86–3.52 Å. In the seventh Yb site, Yb is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.06–3.40 Å. In the eighth Yb site, Yb is bonded in a 1-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.82–3.46 Å. There are thirteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, four Yb, and two Ge atoms. There are one shorter (2.59 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.51–2.77 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, four Yb, and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to five Yb and two Ge atoms. The Ge–Ge bond length is 2.49 Å. In the fifth Ge site, Ge is bonded in a distorted single-bond geometry to one Li, three Yb, and two Ge atoms. There are one shorter (2.44 Å) and one longer (2.80 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 6-coordinate geometry to four Yb and two Ge atoms. The Ge–Ge bond length is 2.41 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to four Yb and four Ge atoms. There are one shorter (2.61 Å) and two longer (2.67 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to five Yb and three Ge atoms. There are one shorter (2.45 Å) and one longer (2.82 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 10-coordinate geometry to five Yb and two Ge atoms. In the tenth Ge site, Ge is bonded in a 8-coordinate geometry to seven Yb and one Ge atom. In the eleventh Ge site, Ge is bonded in a 7-coordinate geometry to one Li, four Yb, and two Ge atoms. In the twelfth Ge site, Ge is bonded in a 8-coordinate geometry to one Li, four Yb, and three Ge atoms. In the thirteenth Ge site, Ge is bonded in a 6-coordinate geometry to four Yb and two Ge atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-680614
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; LiYb8Ge13; Ge-Li-Yb
OSTI Identifier:
1283689
DOI:
10.17188/1283689

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiYb8Ge13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283689.
Persson, Kristin, & Project, Materials. Materials Data on LiYb8Ge13 by Materials Project. United States. doi:10.17188/1283689.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiYb8Ge13 by Materials Project". United States. doi:10.17188/1283689. https://www.osti.gov/servlets/purl/1283689. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1283689,
title = {Materials Data on LiYb8Ge13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiYb8Ge13 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to three Yb and five Ge atoms. There are a spread of Li–Yb bond distances ranging from 2.84–3.08 Å. There are a spread of Li–Ge bond distances ranging from 2.45–2.88 Å. There are eight inequivalent Yb sites. In the first Yb site, Yb is bonded in a 1-coordinate geometry to one Li and seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.77–3.31 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.01–3.36 Å. In the third Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.77–3.25 Å. In the fourth Yb site, Yb is bonded in a 1-coordinate geometry to one Li and seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.79–3.68 Å. In the fifth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.05–3.48 Å. In the sixth Yb site, Yb is bonded in a 3-coordinate geometry to one Li and seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.86–3.52 Å. In the seventh Yb site, Yb is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.06–3.40 Å. In the eighth Yb site, Yb is bonded in a 1-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.82–3.46 Å. There are thirteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, four Yb, and two Ge atoms. There are one shorter (2.59 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.51–2.77 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, four Yb, and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to five Yb and two Ge atoms. The Ge–Ge bond length is 2.49 Å. In the fifth Ge site, Ge is bonded in a distorted single-bond geometry to one Li, three Yb, and two Ge atoms. There are one shorter (2.44 Å) and one longer (2.80 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 6-coordinate geometry to four Yb and two Ge atoms. The Ge–Ge bond length is 2.41 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to four Yb and four Ge atoms. There are one shorter (2.61 Å) and two longer (2.67 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to five Yb and three Ge atoms. There are one shorter (2.45 Å) and one longer (2.82 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 10-coordinate geometry to five Yb and two Ge atoms. In the tenth Ge site, Ge is bonded in a 8-coordinate geometry to seven Yb and one Ge atom. In the eleventh Ge site, Ge is bonded in a 7-coordinate geometry to one Li, four Yb, and two Ge atoms. In the twelfth Ge site, Ge is bonded in a 8-coordinate geometry to one Li, four Yb, and three Ge atoms. In the thirteenth Ge site, Ge is bonded in a 6-coordinate geometry to four Yb and two Ge atoms.},
doi = {10.17188/1283689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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