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Title: Materials Data on Sn5C8Se10N2O by Materials Project

Abstract

Sn5C8N2Se10O crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted tetrahedral geometry to four equivalent Se2- atoms. All Sn–Se bond lengths are 3.13 Å. In the second Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to three Se2- and one O2- atom. There are a spread of Sn–Se bond distances ranging from 2.60–3.31 Å. The Sn–O bond length is 2.33 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.48 Å. The C–Se bond length is 1.85 Å. In the second C1+ site, C1+ is bonded in a 1-coordinate geometry to one C1+, one N3-, and one Se2- atom. The C–C bond length is 1.33 Å. The C–N bond length is 1.51 Å. The C–Se bond length is 1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent C1+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to fourmore » equivalent C1+ atoms. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to two Sn4+ and one C1+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to one Sn4+ and one C1+ atom. O2- is bonded in a distorted tetrahedral geometry to four equivalent Sn4+ atoms.« less

Publication Date:
Other Number(s):
mp-1179459
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; Sn5C8Se10N2O; C-N-O-Se-Sn
OSTI Identifier:
1726875
DOI:
https://doi.org/10.17188/1726875

Citation Formats

The Materials Project. Materials Data on Sn5C8Se10N2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726875.
The Materials Project. Materials Data on Sn5C8Se10N2O by Materials Project. United States. doi:https://doi.org/10.17188/1726875
The Materials Project. 2020. "Materials Data on Sn5C8Se10N2O by Materials Project". United States. doi:https://doi.org/10.17188/1726875. https://www.osti.gov/servlets/purl/1726875. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1726875,
title = {Materials Data on Sn5C8Se10N2O by Materials Project},
author = {The Materials Project},
abstractNote = {Sn5C8N2Se10O crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted tetrahedral geometry to four equivalent Se2- atoms. All Sn–Se bond lengths are 3.13 Å. In the second Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to three Se2- and one O2- atom. There are a spread of Sn–Se bond distances ranging from 2.60–3.31 Å. The Sn–O bond length is 2.33 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.48 Å. The C–Se bond length is 1.85 Å. In the second C1+ site, C1+ is bonded in a 1-coordinate geometry to one C1+, one N3-, and one Se2- atom. The C–C bond length is 1.33 Å. The C–N bond length is 1.51 Å. The C–Se bond length is 1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent C1+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent C1+ atoms. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to two Sn4+ and one C1+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to one Sn4+ and one C1+ atom. O2- is bonded in a distorted tetrahedral geometry to four equivalent Sn4+ atoms.},
doi = {10.17188/1726875},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}