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Title: Materials Data on SnC2(NF)6 by Materials Project

Abstract

SnC2(NF)6 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one SnC2(NF)6 sheet oriented in the (0, 0, 1) direction. Sn4+ is bonded in an octahedral geometry to six F1- atoms. All Sn–F bond lengths are 2.01 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N1- atoms. All C–N bond lengths are 1.35 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N1- atoms. All C–N bond lengths are 1.35 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two F1- atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) N–F bond lengths. In the second N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two equivalent F1- atoms. Both N–F bond lengths are 2.50 Å. In the third N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two F1- atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) N–F bond lengths. Inmore » the fourth N1- site, N1- is bonded in a distorted trigonal planar geometry to one C4+ and two equivalent F1- atoms. Both N–F bond lengths are 2.44 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two equivalent N1- atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two equivalent N1- atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two N1- atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two N1- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1209071
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnC2(NF)6; C-F-N-Sn
OSTI Identifier:
1715747
DOI:
https://doi.org/10.17188/1715747

Citation Formats

The Materials Project. Materials Data on SnC2(NF)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1715747.
The Materials Project. Materials Data on SnC2(NF)6 by Materials Project. United States. doi:https://doi.org/10.17188/1715747
The Materials Project. 2019. "Materials Data on SnC2(NF)6 by Materials Project". United States. doi:https://doi.org/10.17188/1715747. https://www.osti.gov/servlets/purl/1715747. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1715747,
title = {Materials Data on SnC2(NF)6 by Materials Project},
author = {The Materials Project},
abstractNote = {SnC2(NF)6 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one SnC2(NF)6 sheet oriented in the (0, 0, 1) direction. Sn4+ is bonded in an octahedral geometry to six F1- atoms. All Sn–F bond lengths are 2.01 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N1- atoms. All C–N bond lengths are 1.35 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N1- atoms. All C–N bond lengths are 1.35 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two F1- atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) N–F bond lengths. In the second N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two equivalent F1- atoms. Both N–F bond lengths are 2.50 Å. In the third N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and two F1- atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) N–F bond lengths. In the fourth N1- site, N1- is bonded in a distorted trigonal planar geometry to one C4+ and two equivalent F1- atoms. Both N–F bond lengths are 2.44 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two equivalent N1- atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two equivalent N1- atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two N1- atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Sn4+ and two N1- atoms.},
doi = {10.17188/1715747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}