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Materials Data on NaPdO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315474· OSTI ID:1315474
NaPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent O atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Na–O bond lengths are 2.82 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.00 Å. O is bonded to four equivalent Na and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing ONa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1315474
Report Number(s):
mp-976968
Country of Publication:
United States
Language:
English

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