DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cd3InAu12 by Materials Project

Abstract

Au12Cd3In is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Au+0.75- sites. In the first Au+0.75- site, Au+0.75- is bonded to two equivalent Cd2+ and two equivalent In3+ atoms to form a mixture of distorted corner and face-sharing AuCd2In2 cuboctahedra. Both Au–Cd bond lengths are 2.99 Å. Both Au–In bond lengths are 2.98 Å. In the second Au+0.75- site, Au+0.75- is bonded in a distorted see-saw-like geometry to four Cd2+ atoms. There are two shorter (2.98 Å) and two longer (2.99 Å) Au–Cd bond lengths. In the third Au+0.75- site, Au+0.75- is bonded in a distorted square co-planar geometry to three Cd2+ and one In3+ atom. All Au–Cd bond lengths are 2.98 Å. The Au–In bond length is 2.99 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to twelve Au+0.75- atoms to form CdAu12 cuboctahedra that share corners with six equivalent CdAu12 cuboctahedra, corners with six equivalent InAu12 cuboctahedra, and faces with six equivalent CdAu12 cuboctahedra. In the second Cd2+ site, Cd2+ is bonded to twelve Au+0.75- atoms to form CdAu12 cuboctahedra that share corners with six equivalent CdAu12 cuboctahedra, faces withmore » three equivalent InAu12 cuboctahedra, and faces with five CdAu12 cuboctahedra. In3+ is bonded to twelve Au+0.75- atoms to form InAu12 cuboctahedra that share corners with six equivalent CdAu12 cuboctahedra, corners with six equivalent InAu12 cuboctahedra, and faces with six equivalent CdAu12 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1226957
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; Cd3InAu12; Au-Cd-In
OSTI Identifier:
1680753
DOI:
https://doi.org/10.17188/1680753

Citation Formats

The Materials Project. Materials Data on Cd3InAu12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680753.
The Materials Project. Materials Data on Cd3InAu12 by Materials Project. United States. doi:https://doi.org/10.17188/1680753
The Materials Project. 2020. "Materials Data on Cd3InAu12 by Materials Project". United States. doi:https://doi.org/10.17188/1680753. https://www.osti.gov/servlets/purl/1680753. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680753,
title = {Materials Data on Cd3InAu12 by Materials Project},
author = {The Materials Project},
abstractNote = {Au12Cd3In is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Au+0.75- sites. In the first Au+0.75- site, Au+0.75- is bonded to two equivalent Cd2+ and two equivalent In3+ atoms to form a mixture of distorted corner and face-sharing AuCd2In2 cuboctahedra. Both Au–Cd bond lengths are 2.99 Å. Both Au–In bond lengths are 2.98 Å. In the second Au+0.75- site, Au+0.75- is bonded in a distorted see-saw-like geometry to four Cd2+ atoms. There are two shorter (2.98 Å) and two longer (2.99 Å) Au–Cd bond lengths. In the third Au+0.75- site, Au+0.75- is bonded in a distorted square co-planar geometry to three Cd2+ and one In3+ atom. All Au–Cd bond lengths are 2.98 Å. The Au–In bond length is 2.99 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to twelve Au+0.75- atoms to form CdAu12 cuboctahedra that share corners with six equivalent CdAu12 cuboctahedra, corners with six equivalent InAu12 cuboctahedra, and faces with six equivalent CdAu12 cuboctahedra. In the second Cd2+ site, Cd2+ is bonded to twelve Au+0.75- atoms to form CdAu12 cuboctahedra that share corners with six equivalent CdAu12 cuboctahedra, faces with three equivalent InAu12 cuboctahedra, and faces with five CdAu12 cuboctahedra. In3+ is bonded to twelve Au+0.75- atoms to form InAu12 cuboctahedra that share corners with six equivalent CdAu12 cuboctahedra, corners with six equivalent InAu12 cuboctahedra, and faces with six equivalent CdAu12 cuboctahedra.},
doi = {10.17188/1680753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}