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Title: Materials Data on Sm5Sb3H by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1200040· OSTI ID:1200040

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1200040
Report Number(s):
mp-24339
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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