Materials Data on BiAuCl6 by Materials Project
Abstract
AuBiCl6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Au–Cl bond lengths. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. In the third Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.63–3.18 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.72–3.07 Å. There are twelve inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one Au3+ and one Bi3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-567414
- 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; BiAuCl6; Au-Bi-Cl
- OSTI Identifier:
- 1273860
- DOI:
- https://doi.org/10.17188/1273860
Citation Formats
The Materials Project. Materials Data on BiAuCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273860.
The Materials Project. Materials Data on BiAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1273860
The Materials Project. 2020.
"Materials Data on BiAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1273860. https://www.osti.gov/servlets/purl/1273860. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1273860,
title = {Materials Data on BiAuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {AuBiCl6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Au–Cl bond lengths. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. In the third Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.63–3.18 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.72–3.07 Å. There are twelve inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one Au3+ and one Bi3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Bi3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Bi3+ atom. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to two Bi3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Bi3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Bi3+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Bi3+ atom. In the eighth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Bi3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Bi3+ atom. In the tenth Cl1- site, Cl1- is bonded in a water-like geometry to two Bi3+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a water-like geometry to one Au3+ and one Bi3+ atom. In the twelfth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Bi3+ atoms.},
doi = {10.17188/1273860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}