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Title: Materials Data on LaH6Au3C6(N2O)3 by Materials Project

Abstract

LaAu3C6H6(N2O)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All La–N bond lengths are 2.69 Å. All La–O bond lengths are 2.54 Å. Au+0.33- is bonded in a linear geometry to two equivalent C+2.67+ atoms. Both Au–C bond lengths are 1.99 Å. C+2.67+ is bonded in a distorted single-bond geometry to one Au+0.33- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to one La3+ and one C+2.67+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms.

Publication Date:
Other Number(s):
mp-542688
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; LaH6Au3C6(N2O)3; Au-C-H-La-N-O
OSTI Identifier:
1266633
DOI:
https://doi.org/10.17188/1266633

Citation Formats

The Materials Project. Materials Data on LaH6Au3C6(N2O)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1266633.
The Materials Project. Materials Data on LaH6Au3C6(N2O)3 by Materials Project. United States. doi:https://doi.org/10.17188/1266633
The Materials Project. 2017. "Materials Data on LaH6Au3C6(N2O)3 by Materials Project". United States. doi:https://doi.org/10.17188/1266633. https://www.osti.gov/servlets/purl/1266633. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1266633,
title = {Materials Data on LaH6Au3C6(N2O)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaAu3C6H6(N2O)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All La–N bond lengths are 2.69 Å. All La–O bond lengths are 2.54 Å. Au+0.33- is bonded in a linear geometry to two equivalent C+2.67+ atoms. Both Au–C bond lengths are 1.99 Å. C+2.67+ is bonded in a distorted single-bond geometry to one Au+0.33- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to one La3+ and one C+2.67+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms.},
doi = {10.17188/1266633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}