skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmH8(NO5)3 by Materials Project

Abstract

SmH4(NO4)2NO3(H2O)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, four water molecules, four water molecules, and two SmH4(NO4)2 clusters. In each SmH4(NO4)2 cluster, Sm is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Sm–O bond distances ranging from 2.01–2.39 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.08–1.30 Å. In the second N site, N is bonded in a 3-coordinate geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.10–1.71 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.42 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.04 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.85 Å. In the fourth H site, Hmore » is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.76 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Sm and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted L-shaped geometry to one Sm and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one Sm and two H atoms. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Sm and two H atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom.« less

Publication Date:
Other Number(s):
mp-740754
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; SmH8(NO5)3; H-N-O-Sm
OSTI Identifier:
1287945
DOI:
10.17188/1287945

Citation Formats

The Materials Project. Materials Data on SmH8(NO5)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1287945.
The Materials Project. Materials Data on SmH8(NO5)3 by Materials Project. United States. doi:10.17188/1287945.
The Materials Project. 2017. "Materials Data on SmH8(NO5)3 by Materials Project". United States. doi:10.17188/1287945. https://www.osti.gov/servlets/purl/1287945. Pub date:Thu Dec 07 00:00:00 EST 2017
@article{osti_1287945,
title = {Materials Data on SmH8(NO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmH4(NO4)2NO3(H2O)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, four water molecules, four water molecules, and two SmH4(NO4)2 clusters. In each SmH4(NO4)2 cluster, Sm is bonded in a 2-coordinate geometry to four O atoms. There are a spread of Sm–O bond distances ranging from 2.01–2.39 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.08–1.30 Å. In the second N site, N is bonded in a 3-coordinate geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.10–1.71 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.42 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.04 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.85 Å. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.76 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Sm and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted L-shaped geometry to one Sm and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one Sm and two H atoms. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Sm and two H atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1287945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {12}
}

Dataset:

Save / Share: