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Title: Materials Data on Ti2ZnO5 by Materials Project

Abstract

Ti2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ti4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.76–2.13 Å. Zn2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.28–2.71 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ti4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mvc-14482
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; Ti2ZnO5; O-Ti-Zn
OSTI Identifier:
1319148
DOI:
https://doi.org/10.17188/1319148

Citation Formats

The Materials Project. Materials Data on Ti2ZnO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319148.
The Materials Project. Materials Data on Ti2ZnO5 by Materials Project. United States. doi:https://doi.org/10.17188/1319148
The Materials Project. 2020. "Materials Data on Ti2ZnO5 by Materials Project". United States. doi:https://doi.org/10.17188/1319148. https://www.osti.gov/servlets/purl/1319148. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1319148,
title = {Materials Data on Ti2ZnO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ti4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.76–2.13 Å. Zn2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.28–2.71 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ti4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1319148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}