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Title: Materials Data on Nd2PdO4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1740921· OSTI ID:1740921

Nd2PdO4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent PdO4 tetrahedra and edges with six equivalent NdO6 octahedra. All Nd–O bond lengths are 2.39 Å. Pd2+ is bonded to four equivalent O2- atoms to form PdO4 tetrahedra that share corners with twelve equivalent NdO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Pd–O bond lengths are 2.31 Å. O2- is bonded to three equivalent Nd3+ and one Pd2+ atom to form a mixture of distorted edge and corner-sharing ONd3Pd 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:
1740921
Report Number(s):
mp-1210248
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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