U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1228509
- 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; 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}
}