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Title: Materials Data on K2PtI5 by Materials Project

Abstract

K2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.63–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Pt–I bond distances ranging from 2.69–2.90 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to two equivalent K and one Pt atom. In the second I site, I is bonded to four equivalent K and one Pt atom to form a mixture of distorted edge and corner-sharing IK4Pt trigonal bipyramids. In the third I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.

Publication Date:
Other Number(s):
mp-1224094
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2PtI5; I-K-Pt
OSTI Identifier:
1706954
DOI:
https://doi.org/10.17188/1706954

Citation Formats

The Materials Project. Materials Data on K2PtI5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706954.
The Materials Project. Materials Data on K2PtI5 by Materials Project. United States. doi:https://doi.org/10.17188/1706954
The Materials Project. 2020. "Materials Data on K2PtI5 by Materials Project". United States. doi:https://doi.org/10.17188/1706954. https://www.osti.gov/servlets/purl/1706954. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1706954,
title = {Materials Data on K2PtI5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.63–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Pt–I bond distances ranging from 2.69–2.90 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to two equivalent K and one Pt atom. In the second I site, I is bonded to four equivalent K and one Pt atom to form a mixture of distorted edge and corner-sharing IK4Pt trigonal bipyramids. In the third I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.},
doi = {10.17188/1706954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}