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

Abstract

TiZn(BiO3)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with six equivalent BiO5 square pyramids and corners with two equivalent ZnO4 tetrahedra. There is two shorter (1.80 Å) and two longer (1.90 Å) Ti–O bond length. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six equivalent BiO5 square pyramids and corners with two equivalent TiO4 tetrahedra. There are two shorter (1.96 Å) and two longer (2.05 Å) Zn–O bond lengths. Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with three equivalent TiO4 tetrahedra, corners with three equivalent ZnO4 tetrahedra, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.17–2.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in amore » distorted trigonal planar geometry to one Ti4+, one Zn2+, and one Bi3+ atom.« less

Publication Date:
Other Number(s):
mp-1101073
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:
1722282
DOI:
https://doi.org/10.17188/1722282

Citation Formats

The Materials Project. Materials Data on TiZn(BiO3)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1722282.
The Materials Project. Materials Data on TiZn(BiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722282
The Materials Project. 2018. "Materials Data on TiZn(BiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722282. https://www.osti.gov/servlets/purl/1722282. Pub date:Tue Jul 17 00:00:00 EDT 2018
@article{osti_1722282,
title = {Materials Data on TiZn(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiZn(BiO3)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with six equivalent BiO5 square pyramids and corners with two equivalent ZnO4 tetrahedra. There is two shorter (1.80 Å) and two longer (1.90 Å) Ti–O bond length. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six equivalent BiO5 square pyramids and corners with two equivalent TiO4 tetrahedra. There are two shorter (1.96 Å) and two longer (2.05 Å) Zn–O bond lengths. Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with three equivalent TiO4 tetrahedra, corners with three equivalent ZnO4 tetrahedra, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.17–2.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+, one Zn2+, and one Bi3+ atom.},
doi = {10.17188/1722282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}