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Title: Materials Data on Er11(In3Ge2)2 by Materials Project

Abstract

Er11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.42 Å) Er–In bond lengths. There are a spread of Er–Ge bond distances ranging from 3.05–3.21 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.06 Å) and two longer (3.33 Å) Er–In bond lengths. All Er–Ge bond lengths are 2.98 Å. In the third Er site, Er is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.27 Å) and two longer (3.44 Å) Er–In bond lengths. There are two shorter (2.81 Å) and two longer (3.33 Å) Er–Ge bond lengths. In the fourth Er site, Er is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.33 Å) and four longer (3.44 Å) Er–In bond lengths. The Er–Ge bond length is 3.48 Å. There are two inequivalent In sites. In the firstmore » In site, In is bonded in a 10-coordinate geometry to eight Er and two In atoms. There are one shorter (2.93 Å) and one longer (3.04 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Er and four In atoms. Both In–In bond lengths are 2.95 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Er atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms.« less

Publication Date:
Other Number(s):
mp-1197179
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; Er11(In3Ge2)2; Er-Ge-In
OSTI Identifier:
1679028
DOI:
https://doi.org/10.17188/1679028

Citation Formats

The Materials Project. Materials Data on Er11(In3Ge2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679028.
The Materials Project. Materials Data on Er11(In3Ge2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679028
The Materials Project. 2020. "Materials Data on Er11(In3Ge2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679028. https://www.osti.gov/servlets/purl/1679028. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1679028,
title = {Materials Data on Er11(In3Ge2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Er11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.35 Å) and two longer (3.42 Å) Er–In bond lengths. There are a spread of Er–Ge bond distances ranging from 3.05–3.21 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.06 Å) and two longer (3.33 Å) Er–In bond lengths. All Er–Ge bond lengths are 2.98 Å. In the third Er site, Er is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.27 Å) and two longer (3.44 Å) Er–In bond lengths. There are two shorter (2.81 Å) and two longer (3.33 Å) Er–Ge bond lengths. In the fourth Er site, Er is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.33 Å) and four longer (3.44 Å) Er–In bond lengths. The Er–Ge bond length is 3.48 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Er and two In atoms. There are one shorter (2.93 Å) and one longer (3.04 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Er and four In atoms. Both In–In bond lengths are 2.95 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Er atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms.},
doi = {10.17188/1679028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}