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Title: Materials Data on KDyTiO4 by Materials Project

Abstract

KDyTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.93 Å. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.17–2.76 Å. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.76–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Dy3+, and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Dy3+ and one Ti4+ atom.

Publication Date:
Other Number(s):
mp-1211619
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; KDyTiO4; Dy-K-O-Ti
OSTI Identifier:
1684459
DOI:
https://doi.org/10.17188/1684459

Citation Formats

The Materials Project. Materials Data on KDyTiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684459.
The Materials Project. Materials Data on KDyTiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1684459
The Materials Project. 2020. "Materials Data on KDyTiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1684459. https://www.osti.gov/servlets/purl/1684459. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1684459,
title = {Materials Data on KDyTiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {KDyTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.93 Å. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.17–2.76 Å. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.76–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Dy3+, and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Dy3+ and one Ti4+ atom.},
doi = {10.17188/1684459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}