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Title: Materials Data on TiCdHg2 by Materials Project

Abstract

TiHg2Cd crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Cd atoms to form TiCd4Hg8 cuboctahedra that share corners with twelve equivalent TiCd4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent CdTi4Hg8 cuboctahedra, faces with four equivalent CdTi4Hg8 cuboctahedra, and faces with six equivalent TiCd4Hg8 cuboctahedra. All Ti–Hg bond lengths are 3.05 Å. All Ti–Cd bond lengths are 3.16 Å. Hg is bonded to four equivalent Ti and four equivalent Cd atoms to form distorted HgTi4Cd4 cuboctahedra that share corners with eight equivalent TiCd4Hg8 cuboctahedra, corners with eight equivalent HgTi4Cd4 cuboctahedra, corners with eight equivalent CdTi4Hg8 cuboctahedra, edges with four equivalent TiCd4Hg8 cuboctahedra, edges with four equivalent CdTi4Hg8 cuboctahedra, edges with twelve equivalent HgTi4Cd4 cuboctahedra, and faces with six equivalent HgTi4Cd4 cuboctahedra. All Hg–Cd bond lengths are 3.05 Å. Cd is bonded to four equivalent Ti and eight equivalent Hg atoms to form CdTi4Hg8 cuboctahedra that share corners with twelve equivalent CdTi4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent TiCd4Hg8 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, faces with four equivalent TiCd4Hg8 cuboctahedra, and facesmore » with six equivalent CdTi4Hg8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-11300
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; TiCdHg2; Cd-Hg-Ti
OSTI Identifier:
1187722
DOI:
10.17188/1187722

Citation Formats

The Materials Project. Materials Data on TiCdHg2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1187722.
The Materials Project. Materials Data on TiCdHg2 by Materials Project. United States. doi:10.17188/1187722.
The Materials Project. 2017. "Materials Data on TiCdHg2 by Materials Project". United States. doi:10.17188/1187722. https://www.osti.gov/servlets/purl/1187722. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1187722,
title = {Materials Data on TiCdHg2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiHg2Cd crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Cd atoms to form TiCd4Hg8 cuboctahedra that share corners with twelve equivalent TiCd4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent CdTi4Hg8 cuboctahedra, faces with four equivalent CdTi4Hg8 cuboctahedra, and faces with six equivalent TiCd4Hg8 cuboctahedra. All Ti–Hg bond lengths are 3.05 Å. All Ti–Cd bond lengths are 3.16 Å. Hg is bonded to four equivalent Ti and four equivalent Cd atoms to form distorted HgTi4Cd4 cuboctahedra that share corners with eight equivalent TiCd4Hg8 cuboctahedra, corners with eight equivalent HgTi4Cd4 cuboctahedra, corners with eight equivalent CdTi4Hg8 cuboctahedra, edges with four equivalent TiCd4Hg8 cuboctahedra, edges with four equivalent CdTi4Hg8 cuboctahedra, edges with twelve equivalent HgTi4Cd4 cuboctahedra, and faces with six equivalent HgTi4Cd4 cuboctahedra. All Hg–Cd bond lengths are 3.05 Å. Cd is bonded to four equivalent Ti and eight equivalent Hg atoms to form CdTi4Hg8 cuboctahedra that share corners with twelve equivalent CdTi4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent TiCd4Hg8 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, faces with four equivalent TiCd4Hg8 cuboctahedra, and faces with six equivalent CdTi4Hg8 cuboctahedra.},
doi = {10.17188/1187722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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