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Title: Materials Data on Sn4As3 by Materials Project

Abstract

Sn4As3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sn4As3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn+2.25+ sites. In the first Sn+2.25+ site, Sn+2.25+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.79 Å. In the second Sn+2.25+ site, Sn+2.25+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.89 Å) and three longer (3.08 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second As3- site, As3- is bonded to six equivalent Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°.

Publication Date:
Other Number(s):
mp-12531
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; Sn4As3; As-Sn
OSTI Identifier:
1188962
DOI:
https://doi.org/10.17188/1188962

Citation Formats

The Materials Project. Materials Data on Sn4As3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188962.
The Materials Project. Materials Data on Sn4As3 by Materials Project. United States. doi:https://doi.org/10.17188/1188962
The Materials Project. 2020. "Materials Data on Sn4As3 by Materials Project". United States. doi:https://doi.org/10.17188/1188962. https://www.osti.gov/servlets/purl/1188962. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188962,
title = {Materials Data on Sn4As3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn4As3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sn4As3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn+2.25+ sites. In the first Sn+2.25+ site, Sn+2.25+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.79 Å. In the second Sn+2.25+ site, Sn+2.25+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.89 Å) and three longer (3.08 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second As3- site, As3- is bonded to six equivalent Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°.},
doi = {10.17188/1188962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}