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Title: Materials Data on La3InGe by Materials Project

Abstract

La3GeIn crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are ten inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to four In and two equivalent Ge atoms. There are two shorter (3.22 Å) and two longer (3.98 Å) La–In bond lengths. Both La–Ge bond lengths are 3.13 Å. In the second La site, La is bonded in a 4-coordinate geometry to two equivalent In and two equivalent Ge atoms. Both La–In bond lengths are 3.22 Å. Both La–Ge bond lengths are 3.10 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent In and four Ge atoms. Both La–In bond lengths are 3.92 Å. There are two shorter (3.16 Å) and two longer (3.20 Å) La–Ge bond lengths. In the fourth La site, La is bonded in a 4-coordinate geometry to four In and two equivalent Ge atoms. There are two shorter (3.22 Å) and two longer (3.99 Å) La–In bond lengths. Both La–Ge bond lengths are 3.12 Å. In the fifth La site, La is bonded in a 6-coordinate geometry to four In and two Ge atoms. There are a spread ofmore » La–In bond distances ranging from 3.38–3.55 Å. There are one shorter (3.20 Å) and one longer (3.22 Å) La–Ge bond lengths. In the sixth La site, La is bonded in a 6-coordinate geometry to three In and three Ge atoms. There are a spread of La–In bond distances ranging from 3.35–3.54 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.34 Å. In the seventh La site, La is bonded in a 6-coordinate geometry to three In and three Ge atoms. There are a spread of La–In bond distances ranging from 3.35–3.42 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.49 Å. In the eighth La site, La is bonded in a 6-coordinate geometry to three In and three Ge atoms. There are a spread of La–In bond distances ranging from 3.34–3.59 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.31 Å. In the ninth La site, La is bonded in a 5-coordinate geometry to one In and four Ge atoms. The La–In bond length is 3.36 Å. There are a spread of La–Ge bond distances ranging from 3.21–3.71 Å. In the tenth La site, La is bonded to two In and three Ge atoms to form distorted edge-sharing LaIn2Ge3 trigonal bipyramids. There are one shorter (3.31 Å) and one longer (3.32 Å) La–In bond lengths. There are two shorter (3.60 Å) and one longer (3.72 Å) La–Ge bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a body-centered cubic geometry to eight La atoms. In the second In site, In is bonded in a 10-coordinate geometry to nine La and one In atom. The In–In bond length is 3.05 Å. In the third In site, In is bonded in a 10-coordinate geometry to nine La and one Ge atom. The In–Ge bond length is 3.05 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to nine La and one In atom. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to eight La and one In atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1224015
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; La3InGe; Ge-In-La
OSTI Identifier:
1688129
DOI:
https://doi.org/10.17188/1688129

Citation Formats

The Materials Project. Materials Data on La3InGe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688129.
The Materials Project. Materials Data on La3InGe by Materials Project. United States. doi:https://doi.org/10.17188/1688129
The Materials Project. 2020. "Materials Data on La3InGe by Materials Project". United States. doi:https://doi.org/10.17188/1688129. https://www.osti.gov/servlets/purl/1688129. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688129,
title = {Materials Data on La3InGe by Materials Project},
author = {The Materials Project},
abstractNote = {La3GeIn crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are ten inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to four In and two equivalent Ge atoms. There are two shorter (3.22 Å) and two longer (3.98 Å) La–In bond lengths. Both La–Ge bond lengths are 3.13 Å. In the second La site, La is bonded in a 4-coordinate geometry to two equivalent In and two equivalent Ge atoms. Both La–In bond lengths are 3.22 Å. Both La–Ge bond lengths are 3.10 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent In and four Ge atoms. Both La–In bond lengths are 3.92 Å. There are two shorter (3.16 Å) and two longer (3.20 Å) La–Ge bond lengths. In the fourth La site, La is bonded in a 4-coordinate geometry to four In and two equivalent Ge atoms. There are two shorter (3.22 Å) and two longer (3.99 Å) La–In bond lengths. Both La–Ge bond lengths are 3.12 Å. In the fifth La site, La is bonded in a 6-coordinate geometry to four In and two Ge atoms. There are a spread of La–In bond distances ranging from 3.38–3.55 Å. There are one shorter (3.20 Å) and one longer (3.22 Å) La–Ge bond lengths. In the sixth La site, La is bonded in a 6-coordinate geometry to three In and three Ge atoms. There are a spread of La–In bond distances ranging from 3.35–3.54 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.34 Å. In the seventh La site, La is bonded in a 6-coordinate geometry to three In and three Ge atoms. There are a spread of La–In bond distances ranging from 3.35–3.42 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.49 Å. In the eighth La site, La is bonded in a 6-coordinate geometry to three In and three Ge atoms. There are a spread of La–In bond distances ranging from 3.34–3.59 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.31 Å. In the ninth La site, La is bonded in a 5-coordinate geometry to one In and four Ge atoms. The La–In bond length is 3.36 Å. There are a spread of La–Ge bond distances ranging from 3.21–3.71 Å. In the tenth La site, La is bonded to two In and three Ge atoms to form distorted edge-sharing LaIn2Ge3 trigonal bipyramids. There are one shorter (3.31 Å) and one longer (3.32 Å) La–In bond lengths. There are two shorter (3.60 Å) and one longer (3.72 Å) La–Ge bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a body-centered cubic geometry to eight La atoms. In the second In site, In is bonded in a 10-coordinate geometry to nine La and one In atom. The In–In bond length is 3.05 Å. In the third In site, In is bonded in a 10-coordinate geometry to nine La and one Ge atom. The In–Ge bond length is 3.05 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to nine La and one In atom. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to eight La and one In atom.},
doi = {10.17188/1688129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}