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Title: Materials Data on SmH3(CO2)3 by Materials Project

Abstract

SmH3(CO2)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.44–2.59 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sm3+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one C2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-23771
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; SmH3(CO2)3; C-H-O-Sm
OSTI Identifier:
1199716
DOI:
https://doi.org/10.17188/1199716

Citation Formats

The Materials Project. Materials Data on SmH3(CO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199716.
The Materials Project. Materials Data on SmH3(CO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1199716
The Materials Project. 2020. "Materials Data on SmH3(CO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1199716. https://www.osti.gov/servlets/purl/1199716. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199716,
title = {Materials Data on SmH3(CO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmH3(CO2)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.44–2.59 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sm3+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one C2+ atom.},
doi = {10.17188/1199716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}