U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In9Cu11 by Materials Project
Abstract
Cu11In9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to six Cu and five In atoms. There are a spread of Cu–Cu bond distances ranging from 2.61–2.83 Å. There are a spread of Cu–In bond distances ranging from 2.60–2.83 Å. In the second Cu site, Cu is bonded in a 11-coordinate geometry to four Cu and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.64–2.85 Å. There are a spread of Cu–In bond distances ranging from 2.69–2.89 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six In atoms. There are one shorter (2.64 Å) and one longer (2.73 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.67–2.77 Å. In the fourth Cu site, Cu is bonded to six Cu and six In atoms to form face-sharing CuIn6Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.50 Å. There are two shorter (2.84 Å) and four longer (3.11 Å) Cu–In bond lengths. In the fifth Cu site, Cu is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224313
- 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; In9Cu11; Cu-In
- OSTI Identifier:
- 1733187
- DOI:
- https://doi.org/10.17188/1733187
Citation Formats
The Materials Project. Materials Data on In9Cu11 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1733187.
The Materials Project. Materials Data on In9Cu11 by Materials Project. United States. doi:https://doi.org/10.17188/1733187
The Materials Project. 2019.
"Materials Data on In9Cu11 by Materials Project". United States. doi:https://doi.org/10.17188/1733187. https://www.osti.gov/servlets/purl/1733187. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1733187,
title = {Materials Data on In9Cu11 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu11In9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to six Cu and five In atoms. There are a spread of Cu–Cu bond distances ranging from 2.61–2.83 Å. There are a spread of Cu–In bond distances ranging from 2.60–2.83 Å. In the second Cu site, Cu is bonded in a 11-coordinate geometry to four Cu and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.64–2.85 Å. There are a spread of Cu–In bond distances ranging from 2.69–2.89 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six In atoms. There are one shorter (2.64 Å) and one longer (2.73 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.67–2.77 Å. In the fourth Cu site, Cu is bonded to six Cu and six In atoms to form face-sharing CuIn6Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.50 Å. There are two shorter (2.84 Å) and four longer (3.11 Å) Cu–In bond lengths. In the fifth Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. There are a spread of Cu–In bond distances ranging from 2.72–2.92 Å. In the sixth Cu site, Cu is bonded in a 11-coordinate geometry to four Cu and seven In atoms. There are a spread of Cu–In bond distances ranging from 2.62–2.96 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to nine Cu and one In atom. The In–In bond length is 3.09 Å. In the second In site, In is bonded in a 11-coordinate geometry to eight Cu and three In atoms. There are one shorter (3.06 Å) and one longer (3.20 Å) In–In bond lengths. In the third In site, In is bonded in a 6-coordinate geometry to eight Cu and three In atoms. Both In–In bond lengths are 3.22 Å. In the fourth In site, In is bonded in a 6-coordinate geometry to six Cu atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to six Cu and two equivalent In atoms.},
doi = {10.17188/1733187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}