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Title: Materials Data on Er4Ge6Ir7 by Materials Project

Abstract

Er4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Ir and six equivalent Ge atoms to form ErGe6Ir6 cuboctahedra that share corners with twelve equivalent ErGe6Ir6 cuboctahedra, faces with six equivalent ErGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Er–Ir bond lengths are 2.96 Å. All Er–Ge bond lengths are 3.01 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent ErGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.64 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er and five Ir atoms.

Publication Date:
Other Number(s):
mp-1189162
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; Er4Ge6Ir7; Er-Ge-Ir
OSTI Identifier:
1706987
DOI:
https://doi.org/10.17188/1706987

Citation Formats

The Materials Project. Materials Data on Er4Ge6Ir7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706987.
The Materials Project. Materials Data on Er4Ge6Ir7 by Materials Project. United States. doi:https://doi.org/10.17188/1706987
The Materials Project. 2020. "Materials Data on Er4Ge6Ir7 by Materials Project". United States. doi:https://doi.org/10.17188/1706987. https://www.osti.gov/servlets/purl/1706987. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706987,
title = {Materials Data on Er4Ge6Ir7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Ir and six equivalent Ge atoms to form ErGe6Ir6 cuboctahedra that share corners with twelve equivalent ErGe6Ir6 cuboctahedra, faces with six equivalent ErGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Er–Ir bond lengths are 2.96 Å. All Er–Ge bond lengths are 3.01 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent ErGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.64 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er and five Ir atoms.},
doi = {10.17188/1706987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}