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Title: Materials Data on AgSe5 by Materials Project

Abstract

AgSe5 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two AgSe5 ribbons oriented in the (0, 0, 1) direction. Ag2+ is bonded to four Se+0.40- atoms to form distorted corner-sharing AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.56–2.89 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a distorted L-shaped geometry to two equivalent Ag2+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the third Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 1-coordinate geometry to one Ag2+ and two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a distorted single-bond geometry to one Ag2+ and one Se+0.40- atom.

Publication Date:
Other Number(s):
mp-1101086
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; AgSe5; Ag-Se
OSTI Identifier:
1746983
DOI:
https://doi.org/10.17188/1746983

Citation Formats

The Materials Project. Materials Data on AgSe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746983.
The Materials Project. Materials Data on AgSe5 by Materials Project. United States. doi:https://doi.org/10.17188/1746983
The Materials Project. 2020. "Materials Data on AgSe5 by Materials Project". United States. doi:https://doi.org/10.17188/1746983. https://www.osti.gov/servlets/purl/1746983. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746983,
title = {Materials Data on AgSe5 by Materials Project},
author = {The Materials Project},
abstractNote = {AgSe5 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two AgSe5 ribbons oriented in the (0, 0, 1) direction. Ag2+ is bonded to four Se+0.40- atoms to form distorted corner-sharing AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.56–2.89 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a distorted L-shaped geometry to two equivalent Ag2+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the third Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 1-coordinate geometry to one Ag2+ and two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a distorted single-bond geometry to one Ag2+ and one Se+0.40- atom.},
doi = {10.17188/1746983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}