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Title: Materials Data on KSn2H36C12(Se2N)3 by Materials Project

Abstract

K(SnSe3)2(N(CH3)4)3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one K(SnSe3)2 ribbon oriented in the (1, 1, 1) direction. In the K(SnSe3)2 ribbon, K1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 3.39–3.77 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four Se2- atoms to form edge-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.65 Å. In the second Sn4+ site, Sn4+ is bonded to four Se2- atoms to form edge-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.48–2.66 Å. There are six 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 an L-shaped geometry to one K1+ and one Sn4+ atom. In the third Se2- site, Se2- is bonded in an L-shaped geometry to one K1+ and one Sn4+ atom. In the fourth Se2- site, Se2- is bonded in a distorted L-shaped geometry to one K1+ and two equivalentmore » Sn4+ atoms. In the fifth Se2- site, Se2- is bonded in an L-shaped geometry to one K1+ and one Sn4+ atom. In the sixth Se2- site, Se2- is bonded in an L-shaped geometry to one K1+ and one Sn4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-708999
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; KSn2H36C12(Se2N)3; C-H-K-N-Se-Sn
OSTI Identifier:
1286562
DOI:
10.17188/1286562

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KSn2H36C12(Se2N)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286562.
Persson, Kristin, & Project, Materials. Materials Data on KSn2H36C12(Se2N)3 by Materials Project. United States. doi:10.17188/1286562.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KSn2H36C12(Se2N)3 by Materials Project". United States. doi:10.17188/1286562. https://www.osti.gov/servlets/purl/1286562. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1286562,
title = {Materials Data on KSn2H36C12(Se2N)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K(SnSe3)2(N(CH3)4)3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one K(SnSe3)2 ribbon oriented in the (1, 1, 1) direction. In the K(SnSe3)2 ribbon, K1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 3.39–3.77 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four Se2- atoms to form edge-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.65 Å. In the second Sn4+ site, Sn4+ is bonded to four Se2- atoms to form edge-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.48–2.66 Å. There are six 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 an L-shaped geometry to one K1+ and one Sn4+ atom. In the third Se2- site, Se2- is bonded in an L-shaped geometry to one K1+ and one Sn4+ atom. In the fourth Se2- site, Se2- is bonded in a distorted L-shaped geometry to one K1+ and two equivalent Sn4+ atoms. In the fifth Se2- site, Se2- is bonded in an L-shaped geometry to one K1+ and one Sn4+ atom. In the sixth Se2- site, Se2- is bonded in an L-shaped geometry to one K1+ and one Sn4+ atom.},
doi = {10.17188/1286562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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