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Title: Materials Data on KTmI3 by Materials Project

Abstract

KTmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (3.96 Å) K–I bond lengths. Tm is bonded to six I atoms to form a mixture of edge and corner-sharing TmI6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four shorter (3.06 Å) and two longer (3.07 Å) Tm–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 Tm atoms. In the second I site, I is bonded to two equivalent K and two equivalent Tm atoms to form distorted corner-sharing IK2Tm2 tetrahedra.

Publication Date:
Other Number(s):
mp-570303
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; KTmI3; I-K-Tm
OSTI Identifier:
1275630
DOI:
10.17188/1275630

Citation Formats

The Materials Project. Materials Data on KTmI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275630.
The Materials Project. Materials Data on KTmI3 by Materials Project. United States. doi:10.17188/1275630.
The Materials Project. 2020. "Materials Data on KTmI3 by Materials Project". United States. doi:10.17188/1275630. https://www.osti.gov/servlets/purl/1275630. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1275630,
title = {Materials Data on KTmI3 by Materials Project},
author = {The Materials Project},
abstractNote = {KTmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (3.96 Å) K–I bond lengths. Tm is bonded to six I atoms to form a mixture of edge and corner-sharing TmI6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four shorter (3.06 Å) and two longer (3.07 Å) Tm–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 Tm atoms. In the second I site, I is bonded to two equivalent K and two equivalent Tm atoms to form distorted corner-sharing IK2Tm2 tetrahedra.},
doi = {10.17188/1275630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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