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Title: Materials Data on NdAlO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277167· OSTI ID:1277167

NdAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.40 Å) and six longer (2.68 Å) Nd–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Al–O bond lengths are 1.92 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Al3+ 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:
1277167
Report Number(s):
mp-5899
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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