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Title: Materials Data on VAg(PSe3)2 by Materials Project

Abstract

AgVP2Se6 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one AgVP2Se6 sheet oriented in the (0, 0, 1) direction. V3+ is bonded to six Se2- atoms to form VSe6 octahedra that share edges with three equivalent AgSe6 octahedra. There are a spread of V–Se bond distances ranging from 2.55–2.62 Å. Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share edges with three equivalent VSe6 octahedra. There are a spread of Ag–Se bond distances ranging from 2.87–2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.22 Å) and two longer (2.24 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom.

Publication Date:
Other Number(s):
mp-6543
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(PSe3)2; Ag-P-Se-V
OSTI Identifier:
1281277
DOI:
10.17188/1281277

Citation Formats

The Materials Project. Materials Data on VAg(PSe3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281277.
The Materials Project. Materials Data on VAg(PSe3)2 by Materials Project. United States. doi:10.17188/1281277.
The Materials Project. 2020. "Materials Data on VAg(PSe3)2 by Materials Project". United States. doi:10.17188/1281277. https://www.osti.gov/servlets/purl/1281277. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1281277,
title = {Materials Data on VAg(PSe3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgVP2Se6 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one AgVP2Se6 sheet oriented in the (0, 0, 1) direction. V3+ is bonded to six Se2- atoms to form VSe6 octahedra that share edges with three equivalent AgSe6 octahedra. There are a spread of V–Se bond distances ranging from 2.55–2.62 Å. Ag1+ is bonded to six Se2- atoms to form AgSe6 octahedra that share edges with three equivalent VSe6 octahedra. There are a spread of Ag–Se bond distances ranging from 2.87–2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.22 Å) and two longer (2.24 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to one V3+, one Ag1+, and one P4+ atom.},
doi = {10.17188/1281277},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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