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Title: Materials Data on K4Sb2O5 by Materials Project

Abstract

K4Sb2O5 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.84 Å) and two longer (3.33 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.70 Å) and four longer (2.93 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.77 Å) and four longer (2.83 Å) K–O bond lengths. In the fourth K1+ site, K1+ is bonded to six O2- atoms to form distorted edge-sharing KO6 pentagonal pyramids. There are two shorter (2.68 Å) and four longer (2.94 Å) K–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.04 Å) Sb–O bond length. In the second Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2-more » atoms. There is two shorter (1.94 Å) and one longer (2.04 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded to five K1+ and one Sb3+ atom to form a mixture of distorted edge, corner, and face-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 41–65°. In the third O2- site, O2- is bonded to five K1+ and one Sb3+ atom to form a mixture of distorted edge, corner, and face-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 41–65°.« less

Publication Date:
Other Number(s):
mp-757850
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; K4Sb2O5; K-O-Sb
OSTI Identifier:
1290908
DOI:
10.17188/1290908

Citation Formats

The Materials Project. Materials Data on K4Sb2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290908.
The Materials Project. Materials Data on K4Sb2O5 by Materials Project. United States. doi:10.17188/1290908.
The Materials Project. 2020. "Materials Data on K4Sb2O5 by Materials Project". United States. doi:10.17188/1290908. https://www.osti.gov/servlets/purl/1290908. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290908,
title = {Materials Data on K4Sb2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K4Sb2O5 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.84 Å) and two longer (3.33 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.70 Å) and four longer (2.93 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.77 Å) and four longer (2.83 Å) K–O bond lengths. In the fourth K1+ site, K1+ is bonded to six O2- atoms to form distorted edge-sharing KO6 pentagonal pyramids. There are two shorter (2.68 Å) and four longer (2.94 Å) K–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.04 Å) Sb–O bond length. In the second Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.94 Å) and one longer (2.04 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded to five K1+ and one Sb3+ atom to form a mixture of distorted edge, corner, and face-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 41–65°. In the third O2- site, O2- is bonded to five K1+ and one Sb3+ atom to form a mixture of distorted edge, corner, and face-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 41–65°.},
doi = {10.17188/1290908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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