Materials Data on Nd(N5O9)3 by Materials Project
Abstract
Nd(NO3)6(N2)3(NO3)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four ammonia molecules, twelve nitric acid molecules, and four Nd(NO3)6 clusters. In each Nd(NO3)6 cluster, Nd3+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.62–2.68 Å. There are three inequivalent N+3.40+ sites. In the first N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 Å. In the second N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 Å. In the third N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the third O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1198441
- 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(N5O9)3; N-Nd-O
- OSTI Identifier:
- 1726909
- DOI:
- https://doi.org/10.17188/1726909
Citation Formats
The Materials Project. Materials Data on Nd(N5O9)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1726909.
The Materials Project. Materials Data on Nd(N5O9)3 by Materials Project. United States. doi:https://doi.org/10.17188/1726909
The Materials Project. 2020.
"Materials Data on Nd(N5O9)3 by Materials Project". United States. doi:https://doi.org/10.17188/1726909. https://www.osti.gov/servlets/purl/1726909. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1726909,
title = {Materials Data on Nd(N5O9)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(NO3)6(N2)3(NO3)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four ammonia molecules, twelve nitric acid molecules, and four Nd(NO3)6 clusters. In each Nd(NO3)6 cluster, Nd3+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.62–2.68 Å. There are three inequivalent N+3.40+ sites. In the first N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 Å. In the second N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 Å. In the third N+3.40+ site, N+3.40+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.40+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one N+3.40+ atom.},
doi = {10.17188/1726909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}