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Title: Materials Data on TiSnO4 by Materials Project

Abstract

TiSnO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with eight equivalent SnO6 octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. All Ti–O bond lengths are 1.99 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with eight equivalent TiO6 octahedra and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are four shorter (2.06 Å) and two longer (2.11 Å) Sn–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 equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn4+ atom.

Publication Date:
Other Number(s):
mp-1216649
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; TiSnO4; O-Sn-Ti
OSTI Identifier:
1720974
DOI:
https://doi.org/10.17188/1720974

Citation Formats

The Materials Project. Materials Data on TiSnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1720974.
The Materials Project. Materials Data on TiSnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1720974
The Materials Project. 2020. "Materials Data on TiSnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1720974. https://www.osti.gov/servlets/purl/1720974. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1720974,
title = {Materials Data on TiSnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TiSnO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with eight equivalent SnO6 octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. All Ti–O bond lengths are 1.99 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with eight equivalent TiO6 octahedra and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are four shorter (2.06 Å) and two longer (2.11 Å) Sn–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 equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn4+ atom.},
doi = {10.17188/1720974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}