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Materials Data on Sr2Bi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205463· OSTI ID:1205463
Sr2Bi3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.49–3.82 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.44–3.62 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Sr and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.35 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to five Sr and three Bi atoms. There are one shorter (3.14 Å) and one longer (3.46 Å) Bi–Bi bond lengths.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1205463
Report Number(s):
mp-31150
Country of Publication:
United States
Language:
English

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