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Title: Materials Data on VAg(PS3)2 by Materials Project

Abstract

AgVP2S6 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one AgVP2S6 sheet oriented in the (0, 0, 1) direction. V3+ is bonded to six S2- atoms to form VS6 octahedra that share an edgeedge with one AgS6 octahedra and edges with two equivalent VS6 octahedra. There are a spread of V–S bond distances ranging from 2.42–2.49 Å. Ag1+ is bonded to six S2- atoms to form distorted AgS6 octahedra that share an edgeedge with one VS6 octahedra and edges with two equivalent AgS6 octahedra. There are a spread of Ag–S bond distances ranging from 2.74–2.89 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.97–2.13 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent V3+ and one P4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one P4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6462
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; VAg(PS3)2; Ag-P-S-V
OSTI Identifier:
1280613
DOI:
10.17188/1280613

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on VAg(PS3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280613.
Persson, Kristin, & Project, Materials. Materials Data on VAg(PS3)2 by Materials Project. United States. doi:10.17188/1280613.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on VAg(PS3)2 by Materials Project". United States. doi:10.17188/1280613. https://www.osti.gov/servlets/purl/1280613. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280613,
title = {Materials Data on VAg(PS3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgVP2S6 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one AgVP2S6 sheet oriented in the (0, 0, 1) direction. V3+ is bonded to six S2- atoms to form VS6 octahedra that share an edgeedge with one AgS6 octahedra and edges with two equivalent VS6 octahedra. There are a spread of V–S bond distances ranging from 2.42–2.49 Å. Ag1+ is bonded to six S2- atoms to form distorted AgS6 octahedra that share an edgeedge with one VS6 octahedra and edges with two equivalent AgS6 octahedra. There are a spread of Ag–S bond distances ranging from 2.74–2.89 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.97–2.13 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent V3+ and one P4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one P4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom.},
doi = {10.17188/1280613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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