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Title: Materials Data on ReSn2Se by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279105· OSTI ID:1279105

ReSn2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a distorted body-centered cubic geometry to four equivalent Sn and four equivalent Se atoms. All Re–Sn bond lengths are 2.97 Å. All Re–Se bond lengths are 2.97 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sn and four equivalent Se atoms to form distorted edge-sharing SnSn4Se4 tetrahedra. All Sn–Sn bond lengths are 2.97 Å. All Sn–Se bond lengths are 2.97 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Sn atoms. Se is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Sn 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:
1279105
Report Number(s):
mp-631375
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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