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Title: Materials Data on K2SnO2 by Materials Project

Abstract

K2SnO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five O2- atoms to form distorted edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.67–2.95 Å. In the second K1+ site, K1+ is bonded to five O2- atoms to form distorted edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.72–2.84 Å. In the third K1+ site, K1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.86 Å. In the fourth K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–O bond lengths. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.02–2.18 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging frommore » 2.04–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five K1+ and one Sn2+ atom to form distorted OK5Sn octahedra that share corners with three equivalent OK5Sn octahedra, a cornercorner with one OK3Sn2 trigonal bipyramid, edges with seven OK5Sn octahedra, and an edgeedge with one OK3Sn2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 14–18°. In the second O2- site, O2- is bonded to four K1+ and two equivalent Sn2+ atoms to form distorted OK4Sn2 octahedra that share corners with three equivalent OK3Sn2 trigonal bipyramids and edges with eight OK5Sn octahedra. In the third O2- site, O2- is bonded to three K1+ and two equivalent Sn2+ atoms to form distorted OK3Sn2 trigonal bipyramids that share corners with four OK5Sn octahedra, edges with four OK5Sn octahedra, and an edgeedge with one OK3Sn2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 29–78°. In the fourth O2- site, O2- is bonded to five K1+ and one Sn2+ atom to form distorted OK5Sn octahedra that share corners with three equivalent OK5Sn octahedra, edges with four OK5Sn octahedra, and edges with three equivalent OK3Sn2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 14–18°.« less

Authors:
Publication Date:
Other Number(s):
mp-752692
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; K2SnO2; K-O-Sn
OSTI Identifier:
1288775
DOI:
https://doi.org/10.17188/1288775

Citation Formats

The Materials Project. Materials Data on K2SnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288775.
The Materials Project. Materials Data on K2SnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1288775
The Materials Project. 2020. "Materials Data on K2SnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1288775. https://www.osti.gov/servlets/purl/1288775. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1288775,
title = {Materials Data on K2SnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SnO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five O2- atoms to form distorted edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.67–2.95 Å. In the second K1+ site, K1+ is bonded to five O2- atoms to form distorted edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.72–2.84 Å. In the third K1+ site, K1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.86 Å. In the fourth K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–O bond lengths. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.02–2.18 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.04–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five K1+ and one Sn2+ atom to form distorted OK5Sn octahedra that share corners with three equivalent OK5Sn octahedra, a cornercorner with one OK3Sn2 trigonal bipyramid, edges with seven OK5Sn octahedra, and an edgeedge with one OK3Sn2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 14–18°. In the second O2- site, O2- is bonded to four K1+ and two equivalent Sn2+ atoms to form distorted OK4Sn2 octahedra that share corners with three equivalent OK3Sn2 trigonal bipyramids and edges with eight OK5Sn octahedra. In the third O2- site, O2- is bonded to three K1+ and two equivalent Sn2+ atoms to form distorted OK3Sn2 trigonal bipyramids that share corners with four OK5Sn octahedra, edges with four OK5Sn octahedra, and an edgeedge with one OK3Sn2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 29–78°. In the fourth O2- site, O2- is bonded to five K1+ and one Sn2+ atom to form distorted OK5Sn octahedra that share corners with three equivalent OK5Sn octahedra, edges with four OK5Sn octahedra, and edges with three equivalent OK3Sn2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 14–18°.},
doi = {10.17188/1288775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}