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Title: Materials Data on KTiO3 by Materials Project

Abstract

KTiO3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.85 Å) and four longer (2.91 Å) K–O bond lengths. Ti is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.73 Å) and four longer (1.95 Å) Ti–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent K and two equivalent Ti atoms. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Ti atom.

Publication Date:
Other Number(s):
mp-760376
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; KTiO3; K-O-Ti
OSTI Identifier:
1291615
DOI:
10.17188/1291615

Citation Formats

The Materials Project. Materials Data on KTiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291615.
The Materials Project. Materials Data on KTiO3 by Materials Project. United States. doi:10.17188/1291615.
The Materials Project. 2020. "Materials Data on KTiO3 by Materials Project". United States. doi:10.17188/1291615. https://www.osti.gov/servlets/purl/1291615. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1291615,
title = {Materials Data on KTiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KTiO3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.85 Å) and four longer (2.91 Å) K–O bond lengths. Ti is bonded in a 5-coordinate geometry to five O atoms. There is one shorter (1.73 Å) and four longer (1.95 Å) Ti–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent K and two equivalent Ti atoms. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent K and one Ti atom.},
doi = {10.17188/1291615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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