U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm2(CN2)3 by Materials Project
Abstract
Tm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Tm–N bond distances ranging from 2.31–2.49 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Tm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NTm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205483
- 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; Tm2(CN2)3; C-N-Tm
- OSTI Identifier:
- 1684190
- DOI:
- https://doi.org/10.17188/1684190
Citation Formats
The Materials Project. Materials Data on Tm2(CN2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684190.
The Materials Project. Materials Data on Tm2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1684190
The Materials Project. 2020.
"Materials Data on Tm2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1684190. https://www.osti.gov/servlets/purl/1684190. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684190,
title = {Materials Data on Tm2(CN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Tm–N bond distances ranging from 2.31–2.49 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Tm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NTm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one C4+ atom.},
doi = {10.17188/1684190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}