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Title: Materials Data on BaSrI4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1696017· OSTI ID:1696017

BaSrI4 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. There are four shorter (3.54 Å) and four longer (3.67 Å) Ba–I bond lengths. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. There are four shorter (3.47 Å) and four longer (3.56 Å) Sr–I bond lengths. I1- is bonded to two equivalent Ba2+ and two equivalent Sr2+ atoms to form a mixture of corner and edge-sharing IBa2Sr2 tetrahedra.

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:
1696017
Report Number(s):
mp-1178505
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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