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Title: Materials Data on GdHoAl6 by Materials Project

Abstract

HoGdAl6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve Al atoms to form HoAl12 cuboctahedra that share corners with six equivalent HoAl12 cuboctahedra, corners with twelve equivalent AlGd2Ho2Al8 cuboctahedra, edges with six equivalent AlGd2Ho2Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with six equivalent GdAl12 cuboctahedra, and faces with six equivalent AlGd2Ho2Al8 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.10 Å) Ho–Al bond lengths. Gd is bonded to twelve Al atoms to form GdAl12 cuboctahedra that share corners with twelve equivalent GdAl12 cuboctahedra, edges with twelve equivalent AlGd2Ho2Al8 cuboctahedra, faces with six equivalent HoAl12 cuboctahedra, and faces with six equivalent AlGd2Ho2Al8 cuboctahedra. There are six shorter (2.99 Å) and six longer (3.06 Å) Gd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Ho, two equivalent Gd, and eight Al atoms to form distorted AlGd2Ho2Al8 cuboctahedra that share corners with four equivalent HoAl12 cuboctahedra, corners with fourteen equivalent AlGd2Ho2Al8 cuboctahedra, edges with two equivalent HoAl12 cuboctahedra, edges with four equivalent GdAl12 cuboctahedra, edges with four equivalent AlGd2Ho2Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with two equivalentmore » GdAl12 cuboctahedra, and faces with six equivalent AlGd2Ho2Al8 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.06 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Gd, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1224918
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GdHoAl6; Al-Gd-Ho
OSTI Identifier:
1740743
DOI:
https://doi.org/10.17188/1740743

Citation Formats

The Materials Project. Materials Data on GdHoAl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740743.
The Materials Project. Materials Data on GdHoAl6 by Materials Project. United States. doi:https://doi.org/10.17188/1740743
The Materials Project. 2020. "Materials Data on GdHoAl6 by Materials Project". United States. doi:https://doi.org/10.17188/1740743. https://www.osti.gov/servlets/purl/1740743. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1740743,
title = {Materials Data on GdHoAl6 by Materials Project},
author = {The Materials Project},
abstractNote = {HoGdAl6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve Al atoms to form HoAl12 cuboctahedra that share corners with six equivalent HoAl12 cuboctahedra, corners with twelve equivalent AlGd2Ho2Al8 cuboctahedra, edges with six equivalent AlGd2Ho2Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with six equivalent GdAl12 cuboctahedra, and faces with six equivalent AlGd2Ho2Al8 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.10 Å) Ho–Al bond lengths. Gd is bonded to twelve Al atoms to form GdAl12 cuboctahedra that share corners with twelve equivalent GdAl12 cuboctahedra, edges with twelve equivalent AlGd2Ho2Al8 cuboctahedra, faces with six equivalent HoAl12 cuboctahedra, and faces with six equivalent AlGd2Ho2Al8 cuboctahedra. There are six shorter (2.99 Å) and six longer (3.06 Å) Gd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Ho, two equivalent Gd, and eight Al atoms to form distorted AlGd2Ho2Al8 cuboctahedra that share corners with four equivalent HoAl12 cuboctahedra, corners with fourteen equivalent AlGd2Ho2Al8 cuboctahedra, edges with two equivalent HoAl12 cuboctahedra, edges with four equivalent GdAl12 cuboctahedra, edges with four equivalent AlGd2Ho2Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with two equivalent GdAl12 cuboctahedra, and faces with six equivalent AlGd2Ho2Al8 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.06 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Gd, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.},
doi = {10.17188/1740743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}