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Title: Materials Data on CaLa2SbO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1319249· OSTI ID:1319249

CaLa2SbO6 is Ilmenite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Ca–O bond lengths are 2.35 Å. La+2.50+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.71 Å) La–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Sb–O bond lengths are 2.16 Å. O2- is bonded to one Ca2+, two equivalent La+2.50+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCaLa2Sb trigonal pyramids.

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:
1319249
Report Number(s):
mvc-14545
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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