U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2InCu2 by Materials Project
Abstract
Ce2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.15 Å) Ce–Ce bond lengths. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the second Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. Both Ce–Ce bond lengths are 3.15 Å. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the third Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.15 Å) Ce–Ce bond lengths. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the fourth Ce site, Ce is bonded in a 11-coordinate geometry to three Ce,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1079383
- 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; Ce2InCu2; Ce-Cu-In
- OSTI Identifier:
- 1747853
- DOI:
- https://doi.org/10.17188/1747853
Citation Formats
The Materials Project. Materials Data on Ce2InCu2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1747853.
The Materials Project. Materials Data on Ce2InCu2 by Materials Project. United States. doi:https://doi.org/10.17188/1747853
The Materials Project. 2020.
"Materials Data on Ce2InCu2 by Materials Project". United States. doi:https://doi.org/10.17188/1747853. https://www.osti.gov/servlets/purl/1747853. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747853,
title = {Materials Data on Ce2InCu2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.15 Å) Ce–Ce bond lengths. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the second Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. Both Ce–Ce bond lengths are 3.15 Å. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the third Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.15 Å) Ce–Ce bond lengths. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. In the fourth Ce site, Ce is bonded in a 11-coordinate geometry to three Ce, six equivalent Cu, and two equivalent In atoms. Both Ce–Ce bond lengths are 3.15 Å. There are four shorter (2.93 Å) and two longer (2.94 Å) Ce–Cu bond lengths. Both Ce–In bond lengths are 3.33 Å. Cu is bonded in a 6-coordinate geometry to six Ce atoms. In is bonded to four Ce and two equivalent In atoms to form distorted corner-sharing InCe4In2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. Both In–In bond lengths are 3.15 Å.},
doi = {10.17188/1747853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}