skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ta2SnO6 by Materials Project

Abstract

SnTa2O6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–56°. There are a spread of Ta–O bond distances ranging from 1.89–2.17 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–55°. There are a spread of Ta–O bond distances ranging from 1.89–2.16 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.47 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinatemore » geometry to one Ta5+ and two equivalent Sn2+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Sn2+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556489
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; Ta2SnO6; O-Sn-Ta
OSTI Identifier:
1269376
DOI:
10.17188/1269376

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ta2SnO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269376.
Persson, Kristin, & Project, Materials. Materials Data on Ta2SnO6 by Materials Project. United States. doi:10.17188/1269376.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ta2SnO6 by Materials Project". United States. doi:10.17188/1269376. https://www.osti.gov/servlets/purl/1269376. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269376,
title = {Materials Data on Ta2SnO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SnTa2O6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–56°. There are a spread of Ta–O bond distances ranging from 1.89–2.17 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–55°. There are a spread of Ta–O bond distances ranging from 1.89–2.16 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.47 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Sn2+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Sn2+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms.},
doi = {10.17188/1269376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: