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Title: Materials Data on Ag(BCl)6 by Materials Project

Abstract

Ag(BCl)6 is alpha-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight Ag(BCl)6 clusters. Ag is bonded in a 6-coordinate geometry to six Cl atoms. There are three shorter (2.87 Å) and three longer (2.88 Å) Ag–Cl bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a single-bond geometry to one Cl atom. The B–Cl bond length is 1.79 Å. In the second B site, B is bonded in a single-bond geometry to one Cl atom. The B–Cl bond length is 1.80 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one Ag and one B atom. In the second Cl site, Cl is bonded in a distorted water-like geometry to one Ag and one B atom.

Publication Date:
Other Number(s):
mp-567334
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; Ag(BCl)6; Ag-B-Cl
OSTI Identifier:
1273812
DOI:
10.17188/1273812

Citation Formats

The Materials Project. Materials Data on Ag(BCl)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273812.
The Materials Project. Materials Data on Ag(BCl)6 by Materials Project. United States. doi:10.17188/1273812.
The Materials Project. 2020. "Materials Data on Ag(BCl)6 by Materials Project". United States. doi:10.17188/1273812. https://www.osti.gov/servlets/purl/1273812. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1273812,
title = {Materials Data on Ag(BCl)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag(BCl)6 is alpha-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight Ag(BCl)6 clusters. Ag is bonded in a 6-coordinate geometry to six Cl atoms. There are three shorter (2.87 Å) and three longer (2.88 Å) Ag–Cl bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a single-bond geometry to one Cl atom. The B–Cl bond length is 1.79 Å. In the second B site, B is bonded in a single-bond geometry to one Cl atom. The B–Cl bond length is 1.80 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one Ag and one B atom. In the second Cl site, Cl is bonded in a distorted water-like geometry to one Ag and one B atom.},
doi = {10.17188/1273812},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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