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Title: Materials Data on La3Hf by Materials Project

Abstract

La3Hf is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to eight equivalent La and four equivalent Hf atoms to form distorted LaLa8Hf4 cuboctahedra that share corners with four equivalent HfLa12 cuboctahedra, corners with fourteen equivalent LaLa8Hf4 cuboctahedra, edges with six equivalent HfLa12 cuboctahedra, edges with twelve equivalent LaLa8Hf4 cuboctahedra, faces with four equivalent HfLa12 cuboctahedra, and faces with sixteen equivalent LaLa8Hf4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.44–3.75 Å. There are two shorter (3.53 Å) and two longer (3.59 Å) La–Hf bond lengths. Hf is bonded to twelve equivalent La atoms to form HfLa12 cuboctahedra that share corners with six equivalent HfLa12 cuboctahedra, corners with twelve equivalent LaLa8Hf4 cuboctahedra, edges with eighteen equivalent LaLa8Hf4 cuboctahedra, faces with eight equivalent HfLa12 cuboctahedra, and faces with twelve equivalent LaLa8Hf4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1185128
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3Hf; Hf-La
OSTI Identifier:
1749199
DOI:
https://doi.org/10.17188/1749199

Citation Formats

The Materials Project. Materials Data on La3Hf by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749199.
The Materials Project. Materials Data on La3Hf by Materials Project. United States. doi:https://doi.org/10.17188/1749199
The Materials Project. 2020. "Materials Data on La3Hf by Materials Project". United States. doi:https://doi.org/10.17188/1749199. https://www.osti.gov/servlets/purl/1749199. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749199,
title = {Materials Data on La3Hf by Materials Project},
author = {The Materials Project},
abstractNote = {La3Hf is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to eight equivalent La and four equivalent Hf atoms to form distorted LaLa8Hf4 cuboctahedra that share corners with four equivalent HfLa12 cuboctahedra, corners with fourteen equivalent LaLa8Hf4 cuboctahedra, edges with six equivalent HfLa12 cuboctahedra, edges with twelve equivalent LaLa8Hf4 cuboctahedra, faces with four equivalent HfLa12 cuboctahedra, and faces with sixteen equivalent LaLa8Hf4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.44–3.75 Å. There are two shorter (3.53 Å) and two longer (3.59 Å) La–Hf bond lengths. Hf is bonded to twelve equivalent La atoms to form HfLa12 cuboctahedra that share corners with six equivalent HfLa12 cuboctahedra, corners with twelve equivalent LaLa8Hf4 cuboctahedra, edges with eighteen equivalent LaLa8Hf4 cuboctahedra, faces with eight equivalent HfLa12 cuboctahedra, and faces with twelve equivalent LaLa8Hf4 cuboctahedra.},
doi = {10.17188/1749199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}