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Title: Materials Data on PmDy3 by Materials Project

Abstract

Dy3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pm atoms to form DyPm4Dy8 cuboctahedra that share corners with four equivalent PmDy12 cuboctahedra, corners with fourteen DyPm4Dy8 cuboctahedra, edges with six equivalent PmDy12 cuboctahedra, edges with twelve DyPm4Dy8 cuboctahedra, faces with four equivalent PmDy12 cuboctahedra, and faces with sixteen DyPm4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.65 Å. There are two shorter (3.57 Å) and two longer (3.62 Å) Dy–Pm bond lengths. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pm atoms to form DyPm4Dy8 cuboctahedra that share corners with four equivalent PmDy12 cuboctahedra, corners with fourteen DyPm4Dy8 cuboctahedra, edges with six equivalent PmDy12 cuboctahedra, edges with twelve equivalent DyPm4Dy8 cuboctahedra, faces with four equivalent PmDy12 cuboctahedra, and faces with sixteen DyPm4Dy8 cuboctahedra. There are two shorter (3.57 Å) and two longer (3.62 Å) Dy–Pm bond lengths. Pm is bonded to twelve Dy atoms to form PmDy12 cuboctahedra that share corners with six equivalent PmDy12 cuboctahedra, corners with twelve equivalentmore » DyPm4Dy8 cuboctahedra, edges with eighteen DyPm4Dy8 cuboctahedra, faces with eight equivalent PmDy12 cuboctahedra, and faces with twelve DyPm4Dy8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1186565
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; PmDy3; Dy-Pm
OSTI Identifier:
1752542
DOI:
https://doi.org/10.17188/1752542

Citation Formats

The Materials Project. Materials Data on PmDy3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752542.
The Materials Project. Materials Data on PmDy3 by Materials Project. United States. doi:https://doi.org/10.17188/1752542
The Materials Project. 2020. "Materials Data on PmDy3 by Materials Project". United States. doi:https://doi.org/10.17188/1752542. https://www.osti.gov/servlets/purl/1752542. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1752542,
title = {Materials Data on PmDy3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pm atoms to form DyPm4Dy8 cuboctahedra that share corners with four equivalent PmDy12 cuboctahedra, corners with fourteen DyPm4Dy8 cuboctahedra, edges with six equivalent PmDy12 cuboctahedra, edges with twelve DyPm4Dy8 cuboctahedra, faces with four equivalent PmDy12 cuboctahedra, and faces with sixteen DyPm4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.65 Å. There are two shorter (3.57 Å) and two longer (3.62 Å) Dy–Pm bond lengths. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pm atoms to form DyPm4Dy8 cuboctahedra that share corners with four equivalent PmDy12 cuboctahedra, corners with fourteen DyPm4Dy8 cuboctahedra, edges with six equivalent PmDy12 cuboctahedra, edges with twelve equivalent DyPm4Dy8 cuboctahedra, faces with four equivalent PmDy12 cuboctahedra, and faces with sixteen DyPm4Dy8 cuboctahedra. There are two shorter (3.57 Å) and two longer (3.62 Å) Dy–Pm bond lengths. Pm is bonded to twelve Dy atoms to form PmDy12 cuboctahedra that share corners with six equivalent PmDy12 cuboctahedra, corners with twelve equivalent DyPm4Dy8 cuboctahedra, edges with eighteen DyPm4Dy8 cuboctahedra, faces with eight equivalent PmDy12 cuboctahedra, and faces with twelve DyPm4Dy8 cuboctahedra.},
doi = {10.17188/1752542},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}