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Title: Materials Data on Gd(C2N3)3 by Materials Project

Abstract

Gd(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Gd–N bond distances ranging from 2.48–2.87 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 (1.31 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted linear geometry to one Gd3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to one Gd3+ and two equivalent C4+ atoms.

Publication Date:
Other Number(s):
mp-672360
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; Gd(C2N3)3; C-Gd-N
OSTI Identifier:
1281864
DOI:
10.17188/1281864

Citation Formats

The Materials Project. Materials Data on Gd(C2N3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281864.
The Materials Project. Materials Data on Gd(C2N3)3 by Materials Project. United States. doi:10.17188/1281864.
The Materials Project. 2020. "Materials Data on Gd(C2N3)3 by Materials Project". United States. doi:10.17188/1281864. https://www.osti.gov/servlets/purl/1281864. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1281864,
title = {Materials Data on Gd(C2N3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Gd–N bond distances ranging from 2.48–2.87 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 (1.31 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted linear geometry to one Gd3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to one Gd3+ and two equivalent C4+ atoms.},
doi = {10.17188/1281864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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