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Title: Materials Data on PrS3(NO3)3 by Materials Project

Abstract

(Pr(SO3)3)2(N2)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six ammonia molecules and one Pr(SO3)3 framework. In the Pr(SO3)3 framework, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.48 Å) and three longer (2.62 Å) Pr–O bond lengths. S+0.67+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Pr3+ and one S+0.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S+0.67+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209394
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; PrS3(NO3)3; N-O-Pr-S
OSTI Identifier:
1684135
DOI:
https://doi.org/10.17188/1684135

Citation Formats

The Materials Project. Materials Data on PrS3(NO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684135.
The Materials Project. Materials Data on PrS3(NO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1684135
The Materials Project. 2020. "Materials Data on PrS3(NO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1684135. https://www.osti.gov/servlets/purl/1684135. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1684135,
title = {Materials Data on PrS3(NO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(Pr(SO3)3)2(N2)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of six ammonia molecules and one Pr(SO3)3 framework. In the Pr(SO3)3 framework, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.48 Å) and three longer (2.62 Å) Pr–O bond lengths. S+0.67+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Pr3+ and one S+0.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one S+0.67+ atom.},
doi = {10.17188/1684135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}