Materials Data on Tl2CN2 by Materials Project
Abstract
Tl2CN2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Tl2CN2 sheet oriented in the (0, 1, -1) direction. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.60–2.73 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.58–2.66 Å. In the third Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.59–2.69 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three Tl1+ and one C4+ atom. In the second N3- site, N3-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-570443
- 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; Tl2CN2; C-N-Tl
- OSTI Identifier:
- 1275706
- DOI:
- https://doi.org/10.17188/1275706
Citation Formats
The Materials Project. Materials Data on Tl2CN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275706.
The Materials Project. Materials Data on Tl2CN2 by Materials Project. United States. doi:https://doi.org/10.17188/1275706
The Materials Project. 2020.
"Materials Data on Tl2CN2 by Materials Project". United States. doi:https://doi.org/10.17188/1275706. https://www.osti.gov/servlets/purl/1275706. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275706,
title = {Materials Data on Tl2CN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2CN2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Tl2CN2 sheet oriented in the (0, 1, -1) direction. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.60–2.73 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.58–2.66 Å. In the third Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.59–2.69 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three Tl1+ and one C4+ atom. In the second N3- site, N3- is bonded to three Tl1+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NTl3C tetrahedra. In the third N3- site, N3- is bonded to three Tl1+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NTl3C tetrahedra.},
doi = {10.17188/1275706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}