Materials Data on KDyI3 by Materials Project
Abstract
KDyI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (4.03 Å) K–I bond lengths. Dy is bonded to six I atoms to form a mixture of corner and edge-sharing DyI6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.11 Å) and two longer (3.13 Å) Dy–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent K and two equivalent Dy atoms. In the second I site, I is bonded to two equivalent K and two equivalent Dy atoms to form distorted corner-sharing IK2Dy2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206220
- 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; KDyI3; Dy-I-K
- OSTI Identifier:
- 1695337
- DOI:
- https://doi.org/10.17188/1695337
Citation Formats
The Materials Project. Materials Data on KDyI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695337.
The Materials Project. Materials Data on KDyI3 by Materials Project. United States. doi:https://doi.org/10.17188/1695337
The Materials Project. 2020.
"Materials Data on KDyI3 by Materials Project". United States. doi:https://doi.org/10.17188/1695337. https://www.osti.gov/servlets/purl/1695337. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695337,
title = {Materials Data on KDyI3 by Materials Project},
author = {The Materials Project},
abstractNote = {KDyI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (4.03 Å) K–I bond lengths. Dy is bonded to six I atoms to form a mixture of corner and edge-sharing DyI6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.11 Å) and two longer (3.13 Å) Dy–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent K and two equivalent Dy atoms. In the second I site, I is bonded to two equivalent K and two equivalent Dy atoms to form distorted corner-sharing IK2Dy2 tetrahedra.},
doi = {10.17188/1695337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}