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Title: Materials Data on BaNdO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1289336· OSTI ID:1289336

BaNdO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to nine equivalent O atoms. There are three shorter (2.69 Å) and six longer (3.23 Å) Ba–O bond lengths. Nd is bonded to six equivalent O atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Nd–O bond lengths are 2.34 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two equivalent Nd 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:
1289336
Report Number(s):
mp-754307
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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