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Materials Data on LaNd3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315541· OSTI ID:1315541
Nd3La is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent La atoms to form NdLa4Nd8 cuboctahedra that share corners with four equivalent LaNd12 cuboctahedra, corners with fourteen equivalent NdLa4Nd8 cuboctahedra, edges with six equivalent LaNd12 cuboctahedra, edges with twelve equivalent NdLa4Nd8 cuboctahedra, faces with four equivalent LaNd12 cuboctahedra, and faces with sixteen equivalent NdLa4Nd8 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.69–3.74 Å. There are two shorter (3.70 Å) and two longer (3.72 Å) Nd–La bond lengths. La is bonded to twelve equivalent Nd atoms to form LaNd12 cuboctahedra that share corners with six equivalent LaNd12 cuboctahedra, corners with twelve equivalent NdLa4Nd8 cuboctahedra, edges with eighteen equivalent NdLa4Nd8 cuboctahedra, faces with eight equivalent LaNd12 cuboctahedra, and faces with twelve equivalent NdLa4Nd8 cuboctahedra.
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:
1315541
Report Number(s):
mp-977225
Country of Publication:
United States
Language:
English

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