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Title: Materials Data on TlB(CN)4 by Materials Project

Abstract

BTl(CN)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Tl(CN)4 framework. In the Tl(CN)4 framework, Tl1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.03 Å) and four longer (3.32 Å) Tl–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.

Publication Date:
Other Number(s):
mp-13592
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; TlB(CN)4; B-C-N-Tl
OSTI Identifier:
1189678
DOI:
https://doi.org/10.17188/1189678

Citation Formats

The Materials Project. Materials Data on TlB(CN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189678.
The Materials Project. Materials Data on TlB(CN)4 by Materials Project. United States. doi:https://doi.org/10.17188/1189678
The Materials Project. 2020. "Materials Data on TlB(CN)4 by Materials Project". United States. doi:https://doi.org/10.17188/1189678. https://www.osti.gov/servlets/purl/1189678. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189678,
title = {Materials Data on TlB(CN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {BTl(CN)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Tl(CN)4 framework. In the Tl(CN)4 framework, Tl1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.03 Å) and four longer (3.32 Å) Tl–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.},
doi = {10.17188/1189678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}