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Title: Materials Data on TiCd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204906· OSTI ID:1204906

TiCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent TiTi8Cd4 cuboctahedra, corners with eight equivalent CdTi4Cd8 cuboctahedra, edges with eight equivalent TiTi8Cd4 cuboctahedra, edges with sixteen equivalent CdTi4Cd8 cuboctahedra, faces with six equivalent CdTi4Cd8 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.12 Å. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form CdTi4Cd8 cuboctahedra that share corners with four equivalent CdTi4Cd8 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi4Cd8 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent TiTi8Cd4 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.22 Å) Cd–Cd bond lengths.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1204906
Report Number(s):
mp-30500
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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