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Title: Materials Data on TiZn2O4 by Materials Project

Abstract

Zn2TiO4 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Ti4+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Ti–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.04 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.27 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two Zn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1101024
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiZn2O4; O-Ti-Zn
OSTI Identifier:
1729969
DOI:
https://doi.org/10.17188/1729969

Citation Formats

The Materials Project. Materials Data on TiZn2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729969.
The Materials Project. Materials Data on TiZn2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1729969
The Materials Project. 2020. "Materials Data on TiZn2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1729969. https://www.osti.gov/servlets/purl/1729969. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729969,
title = {Materials Data on TiZn2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2TiO4 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Ti4+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Ti–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.04 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.27 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two Zn2+ atoms.},
doi = {10.17188/1729969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}