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Title: Materials Data on SrCeI4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275942· OSTI ID:1275942

SrCeI4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Sr–I bond distances ranging from 3.37–3.56 Å. Ce is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Ce–I bond distances ranging from 3.31–3.42 Å. There are four inequivalent I sites. In the first I site, I is bonded in a distorted see-saw-like geometry to two equivalent Sr and two equivalent Ce atoms. In the second I site, I is bonded to two equivalent Sr and two equivalent Ce atoms to form a mixture of distorted edge and corner-sharing ISr2Ce2 trigonal pyramids. In the third I site, I is bonded to two equivalent Sr and two equivalent Ce atoms to form a mixture of distorted edge and corner-sharing ISr2Ce2 trigonal pyramids. In the fourth I site, I is bonded in a distorted see-saw-like geometry to two equivalent Sr and two equivalent Ce 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:
1275942
Report Number(s):
mp-570853
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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