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Title: Materials Data on NdC3S3(O2F)9 by Materials Project

Abstract

NdO9(CF3)3(SO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six fluoroform molecules, six sulfur trioxide molecules, and two NdO9 clusters. In each NdO9 cluster, Nd is bonded in a 6-coordinate geometry to six equivalent O atoms. All Nd–O bond lengths are 2.43 Å. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.

Publication Date:
Other Number(s):
mp-1211666
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; NdC3S3(O2F)9; C-F-Nd-O-S
OSTI Identifier:
1751398
DOI:
https://doi.org/10.17188/1751398

Citation Formats

The Materials Project. Materials Data on NdC3S3(O2F)9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751398.
The Materials Project. Materials Data on NdC3S3(O2F)9 by Materials Project. United States. doi:https://doi.org/10.17188/1751398
The Materials Project. 2020. "Materials Data on NdC3S3(O2F)9 by Materials Project". United States. doi:https://doi.org/10.17188/1751398. https://www.osti.gov/servlets/purl/1751398. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1751398,
title = {Materials Data on NdC3S3(O2F)9 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO9(CF3)3(SO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six fluoroform molecules, six sulfur trioxide molecules, and two NdO9 clusters. In each NdO9 cluster, Nd is bonded in a 6-coordinate geometry to six equivalent O atoms. All Nd–O bond lengths are 2.43 Å. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.},
doi = {10.17188/1751398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}