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Title: Materials Data on TiZn(BiO3)2 by Materials Project

Abstract

TiZn(BiO3)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.96 Å) Ti–O bond length. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.90 Å) and four longer (2.10 Å) Zn–O bond lengths. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Zn2+ and four equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to one Ti4+, one Zn2+, and two equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OTiZnBi2 tetrahedra.

Publication Date:
Other Number(s):
mp-557950
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; TiZn(BiO3)2; Bi-O-Ti-Zn
OSTI Identifier:
1270092
DOI:
https://doi.org/10.17188/1270092

Citation Formats

The Materials Project. Materials Data on TiZn(BiO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270092.
The Materials Project. Materials Data on TiZn(BiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270092
The Materials Project. 2020. "Materials Data on TiZn(BiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270092. https://www.osti.gov/servlets/purl/1270092. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270092,
title = {Materials Data on TiZn(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiZn(BiO3)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.96 Å) Ti–O bond length. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.90 Å) and four longer (2.10 Å) Zn–O bond lengths. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Zn2+ and four equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to one Ti4+, one Zn2+, and two equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OTiZnBi2 tetrahedra.},
doi = {10.17188/1270092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}