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Title: Materials Data on Ag3SnP7 by Materials Project

Abstract

Ag3SnP7 is Chalcostibite-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three P+0.71- atoms. There are two shorter (2.53 Å) and one longer (2.54 Å) Ag–P bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three P+0.71- atoms. There are a spread of Ag–P bond distances ranging from 2.52–2.60 Å. Sn2+ is bonded in a 3-coordinate geometry to three P+0.71- atoms. There are two shorter (2.64 Å) and one longer (2.68 Å) Sn–P bond lengths. There are four inequivalent P+0.71- sites. In the first P+0.71- site, P+0.71- is bonded to one Ag1+ and three P+0.71- atoms to form corner-sharing PAgP3 tetrahedra. There are two shorter (2.21 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.71- site, P+0.71- is bonded to two Ag1+ and two P+0.71- atoms to form corner-sharing PAg2P2 tetrahedra. The P–P bond length is 2.20 Å. In the third P+0.71- site, P+0.71- is bonded to one Ag1+, one Sn2+, and two P+0.71- atoms to form corner-sharing PAgSnP2 tetrahedra. In the fourth P+0.71-more » site, P+0.71- is bonded to one Ag1+, one Sn2+, and two equivalent P+0.71- atoms to form distorted corner-sharing PAgSnP2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-29849
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; Ag3SnP7; Ag-P-Sn
OSTI Identifier:
1204297
DOI:
https://doi.org/10.17188/1204297

Citation Formats

The Materials Project. Materials Data on Ag3SnP7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204297.
The Materials Project. Materials Data on Ag3SnP7 by Materials Project. United States. doi:https://doi.org/10.17188/1204297
The Materials Project. 2020. "Materials Data on Ag3SnP7 by Materials Project". United States. doi:https://doi.org/10.17188/1204297. https://www.osti.gov/servlets/purl/1204297. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204297,
title = {Materials Data on Ag3SnP7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SnP7 is Chalcostibite-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three P+0.71- atoms. There are two shorter (2.53 Å) and one longer (2.54 Å) Ag–P bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three P+0.71- atoms. There are a spread of Ag–P bond distances ranging from 2.52–2.60 Å. Sn2+ is bonded in a 3-coordinate geometry to three P+0.71- atoms. There are two shorter (2.64 Å) and one longer (2.68 Å) Sn–P bond lengths. There are four inequivalent P+0.71- sites. In the first P+0.71- site, P+0.71- is bonded to one Ag1+ and three P+0.71- atoms to form corner-sharing PAgP3 tetrahedra. There are two shorter (2.21 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.71- site, P+0.71- is bonded to two Ag1+ and two P+0.71- atoms to form corner-sharing PAg2P2 tetrahedra. The P–P bond length is 2.20 Å. In the third P+0.71- site, P+0.71- is bonded to one Ag1+, one Sn2+, and two P+0.71- atoms to form corner-sharing PAgSnP2 tetrahedra. In the fourth P+0.71- site, P+0.71- is bonded to one Ag1+, one Sn2+, and two equivalent P+0.71- atoms to form distorted corner-sharing PAgSnP2 tetrahedra.},
doi = {10.17188/1204297},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}