Materials Data on Nd(C2N3)3 by Materials Project
Abstract
Nd(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Nd–N bond distances ranging from 2.51–3.00 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 (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one Nd3+ and two equivalent C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Nd3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to one Nd3+ and two equivalent C4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-31320
- 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; Nd(C2N3)3; C-N-Nd
- OSTI Identifier:
- 1205588
- DOI:
- https://doi.org/10.17188/1205588
Citation Formats
The Materials Project. Materials Data on Nd(C2N3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205588.
The Materials Project. Materials Data on Nd(C2N3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1205588
The Materials Project. 2020.
"Materials Data on Nd(C2N3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1205588. https://www.osti.gov/servlets/purl/1205588. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205588,
title = {Materials Data on Nd(C2N3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Nd–N bond distances ranging from 2.51–3.00 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 (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one Nd3+ and two equivalent C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Nd3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to one Nd3+ and two equivalent C4+ atoms.},
doi = {10.17188/1205588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}