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Title: Materials Data on K14In4O13 by Materials Project

Abstract

K14In4O13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.59–2.79 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.10 Å. In the third K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.04 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.92 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.25 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.06 Å. In the seventh K1+ site, K1+ is bonded in a 4-coordinate geometry tomore » four O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.27 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.08–2.15 Å. In the second In3+ site, In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.06–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five K1+ and one In3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two In3+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the seventh O2- site, O2- is bonded in an octahedral geometry to four K1+ and two equivalent In3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554146
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; K14In4O13; In-K-O
OSTI Identifier:
1267763
DOI:
10.17188/1267763

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K14In4O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267763.
Persson, Kristin, & Project, Materials. Materials Data on K14In4O13 by Materials Project. United States. doi:10.17188/1267763.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K14In4O13 by Materials Project". United States. doi:10.17188/1267763. https://www.osti.gov/servlets/purl/1267763. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1267763,
title = {Materials Data on K14In4O13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K14In4O13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.59–2.79 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.10 Å. In the third K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.04 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.92 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.25 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.06 Å. In the seventh K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.27 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.08–2.15 Å. In the second In3+ site, In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.06–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five K1+ and one In3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two In3+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the seventh O2- site, O2- is bonded in an octahedral geometry to four K1+ and two equivalent In3+ atoms.},
doi = {10.17188/1267763},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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