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Title: Materials Data on Ba2In3Au by Materials Project

Abstract

Ba2AuIn3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to three equivalent Au and nine In atoms. There are two shorter (3.54 Å) and one longer (3.57 Å) Ba–Au bond lengths. There are a spread of Ba–In bond distances ranging from 3.58–3.90 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to three equivalent Au and nine In atoms. There are two shorter (3.77 Å) and one longer (3.86 Å) Ba–Au bond lengths. There are a spread of Ba–In bond distances ranging from 3.47–3.83 Å. Au is bonded in a 10-coordinate geometry to six Ba and four In atoms. There are a spread of Au–In bond distances ranging from 2.94–3.21 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to six Ba, one Au, and three In atoms. There are two shorter (3.03 Å) and one longer (3.14 Å) In–In bond lengths. In the second In site, In is bonded in a distorted bent 120 degrees geometry to six Ba, two equivalent Au, and twomore » In atoms. The In–In bond length is 3.16 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Ba, one Au, and three In atoms.« less

Publication Date:
Other Number(s):
mp-1228509
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; Ba2In3Au; Au-Ba-In
OSTI Identifier:
1686375
DOI:
https://doi.org/10.17188/1686375

Citation Formats

The Materials Project. Materials Data on Ba2In3Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686375.
The Materials Project. Materials Data on Ba2In3Au by Materials Project. United States. doi:https://doi.org/10.17188/1686375
The Materials Project. 2020. "Materials Data on Ba2In3Au by Materials Project". United States. doi:https://doi.org/10.17188/1686375. https://www.osti.gov/servlets/purl/1686375. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686375,
title = {Materials Data on Ba2In3Au by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2AuIn3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to three equivalent Au and nine In atoms. There are two shorter (3.54 Å) and one longer (3.57 Å) Ba–Au bond lengths. There are a spread of Ba–In bond distances ranging from 3.58–3.90 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to three equivalent Au and nine In atoms. There are two shorter (3.77 Å) and one longer (3.86 Å) Ba–Au bond lengths. There are a spread of Ba–In bond distances ranging from 3.47–3.83 Å. Au is bonded in a 10-coordinate geometry to six Ba and four In atoms. There are a spread of Au–In bond distances ranging from 2.94–3.21 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to six Ba, one Au, and three In atoms. There are two shorter (3.03 Å) and one longer (3.14 Å) In–In bond lengths. In the second In site, In is bonded in a distorted bent 120 degrees geometry to six Ba, two equivalent Au, and two In atoms. The In–In bond length is 3.16 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Ba, one Au, and three In atoms.},
doi = {10.17188/1686375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}