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Title: Materials Data on Li2Sm2Ge3 by Materials Project

Abstract

Li2Sm2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Sm and four Ge atoms to form a mixture of distorted corner, edge, and face-sharing LiSm3Ge4 tetrahedra. There are one shorter (3.11 Å) and two longer (3.15 Å) Li–Sm bond lengths. There are a spread of Li–Ge bond distances ranging from 2.56–2.72 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.11–3.31 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Li and six Ge atoms. There are four shorter (3.09 Å) and two longer (3.17 Å) Sm–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Sm, and two equivalent Ge atoms. There are one shorter (2.50 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Li and three Sm atoms.

Authors:
Publication Date:
Other Number(s):
mp-1104144
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; Li2Sm2Ge3; Ge-Li-Sm
OSTI Identifier:
1738708
DOI:
https://doi.org/10.17188/1738708

Citation Formats

The Materials Project. Materials Data on Li2Sm2Ge3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738708.
The Materials Project. Materials Data on Li2Sm2Ge3 by Materials Project. United States. doi:https://doi.org/10.17188/1738708
The Materials Project. 2020. "Materials Data on Li2Sm2Ge3 by Materials Project". United States. doi:https://doi.org/10.17188/1738708. https://www.osti.gov/servlets/purl/1738708. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738708,
title = {Materials Data on Li2Sm2Ge3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Sm2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Sm and four Ge atoms to form a mixture of distorted corner, edge, and face-sharing LiSm3Ge4 tetrahedra. There are one shorter (3.11 Å) and two longer (3.15 Å) Li–Sm bond lengths. There are a spread of Li–Ge bond distances ranging from 2.56–2.72 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.11–3.31 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Li and six Ge atoms. There are four shorter (3.09 Å) and two longer (3.17 Å) Sm–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Sm, and two equivalent Ge atoms. There are one shorter (2.50 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Li and three Sm atoms.},
doi = {10.17188/1738708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}