Materials Data on K2NdI5 by Materials Project
Abstract
K2NdI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.60–3.87 Å. Nd3+ is bonded to seven I1- atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are a spread of Nd–I bond distances ranging from 3.19–3.27 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Nd3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Nd3+ atoms. In the third I1- site, I1- is bonded to four equivalent K1+ and one Nd3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4Nd trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one Nd3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4Nd trigonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211886
- 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; K2NdI5; I-K-Nd
- OSTI Identifier:
- 1672727
- DOI:
- https://doi.org/10.17188/1672727
Citation Formats
The Materials Project. Materials Data on K2NdI5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672727.
The Materials Project. Materials Data on K2NdI5 by Materials Project. United States. doi:https://doi.org/10.17188/1672727
The Materials Project. 2020.
"Materials Data on K2NdI5 by Materials Project". United States. doi:https://doi.org/10.17188/1672727. https://www.osti.gov/servlets/purl/1672727. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1672727,
title = {Materials Data on K2NdI5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NdI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.60–3.87 Å. Nd3+ is bonded to seven I1- atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are a spread of Nd–I bond distances ranging from 3.19–3.27 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Nd3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Nd3+ atoms. In the third I1- site, I1- is bonded to four equivalent K1+ and one Nd3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4Nd trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one Nd3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4Nd trigonal bipyramids.},
doi = {10.17188/1672727},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}