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Title: Materials Data on Sm2TmS4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207139· OSTI ID:1207139

TmSm2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.73 Å) and four longer (3.05 Å) Tm–S bond lengths. Sm+2.50+ is bonded to eight equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.82–3.05 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and four equivalent Sm+2.50+ atoms.

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:
1207139
Report Number(s):
mp-36150
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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