Materials Data on Ca3InAu3 by Materials Project
Abstract
Ca3Au3In crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 9-coordinate geometry to six Au and three equivalent In atoms. There are a spread of Ca–Au bond distances ranging from 3.18–3.27 Å. There are two shorter (3.42 Å) and one longer (3.63 Å) Ca–In bond lengths. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Ca–Au bond distances ranging from 3.04–3.14 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Au atoms. There are a spread of Ca–Au bond distances ranging from 3.11–3.19 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to six Ca and three equivalent In atoms. There are two shorter (2.93 Å) and one longer (2.96 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 7-coordinate geometry to six Ca, two equivalent Au, and one In atom. Both Au–Au bond lengths are 2.88 Å. The Au–In bond length is 2.84 Å. In the third Aumore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-606503
- 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; Ca3InAu3; Au-Ca-In
- OSTI Identifier:
- 1277509
- DOI:
- https://doi.org/10.17188/1277509
Citation Formats
The Materials Project. Materials Data on Ca3InAu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277509.
The Materials Project. Materials Data on Ca3InAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1277509
The Materials Project. 2020.
"Materials Data on Ca3InAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1277509. https://www.osti.gov/servlets/purl/1277509. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1277509,
title = {Materials Data on Ca3InAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Au3In crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 9-coordinate geometry to six Au and three equivalent In atoms. There are a spread of Ca–Au bond distances ranging from 3.18–3.27 Å. There are two shorter (3.42 Å) and one longer (3.63 Å) Ca–In bond lengths. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Ca–Au bond distances ranging from 3.04–3.14 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Au atoms. There are a spread of Ca–Au bond distances ranging from 3.11–3.19 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to six Ca and three equivalent In atoms. There are two shorter (2.93 Å) and one longer (2.96 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 7-coordinate geometry to six Ca, two equivalent Au, and one In atom. Both Au–Au bond lengths are 2.88 Å. The Au–In bond length is 2.84 Å. In the third Au site, Au is bonded in a 7-coordinate geometry to seven Ca and two equivalent Au atoms. Both Au–Au bond lengths are 2.96 Å. In is bonded in a 12-coordinate geometry to three equivalent Ca and four Au atoms.},
doi = {10.17188/1277509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}