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Title: Materials Data on Ba2PrSbO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281562· OSTI ID:1281562

Ba2PrSbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.36 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Pr–O bond lengths are 2.36 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Pr3+, and one Sb5+ atom.

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:
1281562
Report Number(s):
mp-6692
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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