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Title: Materials Data on LaPd3C by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1349858· OSTI ID:1349858

LaPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Pd atoms to form LaPd12 cuboctahedra that share corners with twelve equivalent LaPd12 cuboctahedra, faces with six equivalent LaPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All La–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent La and two equivalent C atoms to form a mixture of distorted edge, corner, and face-sharing PdLa4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.19 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent LaPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1349858
Report Number(s):
mp-1017581
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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