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Title: Materials Data on AgC4(BrO)2 by Materials Project

Abstract

AgCO2C(BrC)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight bromomethane molecules; four methane molecules; and two AgCO2 ribbons oriented in the (0, 1, 0) direction. In each AgCO2 ribbon, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.59 Å. C+1.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one C+1.25+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one C+1.25+ atom.

Publication Date:
Other Number(s):
mp-1214977
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; AgC4(BrO)2; Ag-Br-C-O
OSTI Identifier:
1656365
DOI:
https://doi.org/10.17188/1656365

Citation Formats

The Materials Project. Materials Data on AgC4(BrO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656365.
The Materials Project. Materials Data on AgC4(BrO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656365
The Materials Project. 2020. "Materials Data on AgC4(BrO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656365. https://www.osti.gov/servlets/purl/1656365. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1656365,
title = {Materials Data on AgC4(BrO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgCO2C(BrC)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight bromomethane molecules; four methane molecules; and two AgCO2 ribbons oriented in the (0, 1, 0) direction. In each AgCO2 ribbon, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.59 Å. C+1.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one C+1.25+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one C+1.25+ atom.},
doi = {10.17188/1656365},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}