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Title: Materials Data on K2Sn3O7 by Materials Project

Abstract

K2Sn3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.85 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Sn–O bond distances ranging from 2.00–2.20 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 2.07–2.16 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Sn–O bond distancesmore » ranging from 2.05–2.25 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and three Sn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Sn4+ atoms. In the fifth O2- site, O2- is bonded to three equivalent K1+ and two equivalent Sn4+ atoms to form distorted edge-sharing OK3Sn2 square pyramids. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two equivalent Sn4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1024073
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; K2Sn3O7; K-O-Sn
OSTI Identifier:
1355021
DOI:
https://doi.org/10.17188/1355021

Citation Formats

The Materials Project. Materials Data on K2Sn3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355021.
The Materials Project. Materials Data on K2Sn3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1355021
The Materials Project. 2020. "Materials Data on K2Sn3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1355021. https://www.osti.gov/servlets/purl/1355021. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1355021,
title = {Materials Data on K2Sn3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Sn3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–2.93 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.85 Å. There are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Sn–O bond distances ranging from 2.00–2.20 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 2.07–2.16 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Sn–O bond distances ranging from 2.05–2.25 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and three Sn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Sn4+ atoms. In the fifth O2- site, O2- is bonded to three equivalent K1+ and two equivalent Sn4+ atoms to form distorted edge-sharing OK3Sn2 square pyramids. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1355021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}