Materials Data on Cd(In2I3)2 by Materials Project
Abstract
In4CdI6 is Krennerite-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.89 Å) and four longer (3.12 Å) Cd–I bond lengths. In1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.69 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to one Cd2+ and four equivalent In1+ atoms. In the second I1- site, I1- is bonded to one Cd2+ and four equivalent In1+ atoms to form distorted corner-sharing ICdIn4 square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-616218
- 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; Cd(In2I3)2; Cd-I-In
- OSTI Identifier:
- 1277843
- DOI:
- https://doi.org/10.17188/1277843
Citation Formats
The Materials Project. Materials Data on Cd(In2I3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277843.
The Materials Project. Materials Data on Cd(In2I3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1277843
The Materials Project. 2020.
"Materials Data on Cd(In2I3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1277843. https://www.osti.gov/servlets/purl/1277843. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1277843,
title = {Materials Data on Cd(In2I3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {In4CdI6 is Krennerite-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.89 Å) and four longer (3.12 Å) Cd–I bond lengths. In1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.69 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to one Cd2+ and four equivalent In1+ atoms. In the second I1- site, I1- is bonded to one Cd2+ and four equivalent In1+ atoms to form distorted corner-sharing ICdIn4 square pyramids.},
doi = {10.17188/1277843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}
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