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Title: Materials Data on Sm5Sb3H by Materials Project

Abstract

Sm5Sb3H crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to five equivalent Sb3- and two equivalent H1- atoms to form a mixture of distorted face, edge, and corner-sharing SmSb5H2 pentagonal bipyramids. There are a spread of Sm–Sb bond distances ranging from 3.13–3.40 Å. Both Sm–H bond lengths are 2.82 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to two equivalent Sm2+ and six equivalent Sb3- atoms. Both Sm–Sm bond lengths are 3.17 Å. All Sm–Sb bond lengths are 3.27 Å. Sb3- is bonded in a 9-coordinate geometry to nine Sm2+ atoms. H1- is bonded to six equivalent Sm2+ atoms to form face-sharing HSm6 octahedra.

Publication Date:
Other Number(s):
mp-24339
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; Sm5Sb3H; H-Sb-Sm
OSTI Identifier:
1200040
DOI:
https://doi.org/10.17188/1200040

Citation Formats

The Materials Project. Materials Data on Sm5Sb3H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200040.
The Materials Project. Materials Data on Sm5Sb3H by Materials Project. United States. doi:https://doi.org/10.17188/1200040
The Materials Project. 2020. "Materials Data on Sm5Sb3H by Materials Project". United States. doi:https://doi.org/10.17188/1200040. https://www.osti.gov/servlets/purl/1200040. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1200040,
title = {Materials Data on Sm5Sb3H by Materials Project},
author = {The Materials Project},
abstractNote = {Sm5Sb3H crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to five equivalent Sb3- and two equivalent H1- atoms to form a mixture of distorted face, edge, and corner-sharing SmSb5H2 pentagonal bipyramids. There are a spread of Sm–Sb bond distances ranging from 3.13–3.40 Å. Both Sm–H bond lengths are 2.82 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to two equivalent Sm2+ and six equivalent Sb3- atoms. Both Sm–Sm bond lengths are 3.17 Å. All Sm–Sb bond lengths are 3.27 Å. Sb3- is bonded in a 9-coordinate geometry to nine Sm2+ atoms. H1- is bonded to six equivalent Sm2+ atoms to form face-sharing HSm6 octahedra.},
doi = {10.17188/1200040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}