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Title: Materials Data on HfCd by Materials Project

Abstract

HfCd is beta Cu3Ti-like structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Cd atoms to form HfHf8Cd4 cuboctahedra that share corners with four equivalent HfHf8Cd4 cuboctahedra, corners with eight equivalent CdHf4Cd8 cuboctahedra, edges with eight equivalent HfHf8Cd4 cuboctahedra, edges with sixteen equivalent CdHf4Cd8 cuboctahedra, faces with six equivalent CdHf4Cd8 cuboctahedra, and faces with twelve equivalent HfHf8Cd4 cuboctahedra. There are four shorter (3.06 Å) and four longer (3.09 Å) Hf–Hf bond lengths. All Hf–Cd bond lengths are 3.22 Å. Cd is bonded to four equivalent Hf and eight equivalent Cd atoms to form CdHf4Cd8 cuboctahedra that share corners with four equivalent CdHf4Cd8 cuboctahedra, corners with eight equivalent HfHf8Cd4 cuboctahedra, edges with eight equivalent CdHf4Cd8 cuboctahedra, edges with sixteen equivalent HfHf8Cd4 cuboctahedra, faces with six equivalent HfHf8Cd4 cuboctahedra, and faces with twelve equivalent CdHf4Cd8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.16 Å) Cd–Cd bond lengths.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1324725
Report Number(s):
mp-1007758
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; HfCd; Cd-Hf

Citation Formats

The Materials Project. Materials Data on HfCd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1324725.
The Materials Project. Materials Data on HfCd by Materials Project. United States. https://doi.org/10.17188/1324725
The Materials Project. 2020. "Materials Data on HfCd by Materials Project". United States. https://doi.org/10.17188/1324725. https://www.osti.gov/servlets/purl/1324725.
@article{osti_1324725,
title = {Materials Data on HfCd by Materials Project},
author = {The Materials Project},
abstractNote = {HfCd is beta Cu3Ti-like structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Cd atoms to form HfHf8Cd4 cuboctahedra that share corners with four equivalent HfHf8Cd4 cuboctahedra, corners with eight equivalent CdHf4Cd8 cuboctahedra, edges with eight equivalent HfHf8Cd4 cuboctahedra, edges with sixteen equivalent CdHf4Cd8 cuboctahedra, faces with six equivalent CdHf4Cd8 cuboctahedra, and faces with twelve equivalent HfHf8Cd4 cuboctahedra. There are four shorter (3.06 Å) and four longer (3.09 Å) Hf–Hf bond lengths. All Hf–Cd bond lengths are 3.22 Å. Cd is bonded to four equivalent Hf and eight equivalent Cd atoms to form CdHf4Cd8 cuboctahedra that share corners with four equivalent CdHf4Cd8 cuboctahedra, corners with eight equivalent HfHf8Cd4 cuboctahedra, edges with eight equivalent CdHf4Cd8 cuboctahedra, edges with sixteen equivalent HfHf8Cd4 cuboctahedra, faces with six equivalent HfHf8Cd4 cuboctahedra, and faces with twelve equivalent CdHf4Cd8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.16 Å) Cd–Cd bond lengths.},
doi = {10.17188/1324725},
url = {https://www.osti.gov/biblio/1324725}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}