Materials Data on AuSeCl7 by Materials Project
Abstract
AuSeCl7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AuSeCl7 clusters. Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.30–2.35 Å. Se4+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.20–2.96 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ and one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28372
- 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; AuSeCl7; Au-Cl-Se
- OSTI Identifier:
- 1202488
- DOI:
- https://doi.org/10.17188/1202488
Citation Formats
The Materials Project. Materials Data on AuSeCl7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202488.
The Materials Project. Materials Data on AuSeCl7 by Materials Project. United States. doi:https://doi.org/10.17188/1202488
The Materials Project. 2020.
"Materials Data on AuSeCl7 by Materials Project". United States. doi:https://doi.org/10.17188/1202488. https://www.osti.gov/servlets/purl/1202488. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202488,
title = {Materials Data on AuSeCl7 by Materials Project},
author = {The Materials Project},
abstractNote = {AuSeCl7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AuSeCl7 clusters. Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.30–2.35 Å. Se4+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.20–2.96 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ and one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.},
doi = {10.17188/1202488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}