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Title: Materials Data on K4XeO15 by Materials Project

Abstract

XeK4O15 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Xe is bonded in a distorted bent 150 degrees geometry to two K atoms. There are one shorter (3.54 Å) and one longer (3.67 Å) Xe–K bond lengths. There are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to one Xe and six O atoms. There are a spread of K–O bond distances ranging from 2.67–3.10 Å. In the second K site, K is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.66–3.17 Å. In the third K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.08 Å. In the fourth K site, K is bonded in a 6-coordinate geometry to one Xe and six O atoms. There are a spread of K–O bond distances ranging from 2.66–3.13 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three K and one O atom. The O–O bond length is 1.31 Å. In the second Omore » site, O is bonded in a distorted trigonal planar geometry to one K and two O atoms. There is one shorter (1.35 Å) and one longer (1.39 Å) O–O bond length. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a 1-coordinate geometry to two K and one O atom. The O–O bond length is 1.30 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.27 Å. In the sixth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the seventh O site, O is bonded in a 4-coordinate geometry to three K and one O atom. The O–O bond length is 1.28 Å. In the eighth O site, O is bonded in a distorted see-saw-like geometry to three K and one O atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.27 Å. In the eleventh O site, O is bonded in an L-shaped geometry to one K and one O atom. In the twelfth O site, O is bonded in a 2-coordinate geometry to two K and one O atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one O atom. In the fourteenth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom.« less

Publication Date:
Other Number(s):
mp-1204302
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; K4XeO15; K-O-Xe
OSTI Identifier:
1655595
DOI:
https://doi.org/10.17188/1655595

Citation Formats

The Materials Project. Materials Data on K4XeO15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655595.
The Materials Project. Materials Data on K4XeO15 by Materials Project. United States. doi:https://doi.org/10.17188/1655595
The Materials Project. 2020. "Materials Data on K4XeO15 by Materials Project". United States. doi:https://doi.org/10.17188/1655595. https://www.osti.gov/servlets/purl/1655595. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1655595,
title = {Materials Data on K4XeO15 by Materials Project},
author = {The Materials Project},
abstractNote = {XeK4O15 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Xe is bonded in a distorted bent 150 degrees geometry to two K atoms. There are one shorter (3.54 Å) and one longer (3.67 Å) Xe–K bond lengths. There are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to one Xe and six O atoms. There are a spread of K–O bond distances ranging from 2.67–3.10 Å. In the second K site, K is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.66–3.17 Å. In the third K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.08 Å. In the fourth K site, K is bonded in a 6-coordinate geometry to one Xe and six O atoms. There are a spread of K–O bond distances ranging from 2.66–3.13 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three K and one O atom. The O–O bond length is 1.31 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one K and two O atoms. There is one shorter (1.35 Å) and one longer (1.39 Å) O–O bond length. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a 1-coordinate geometry to two K and one O atom. The O–O bond length is 1.30 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.27 Å. In the sixth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the seventh O site, O is bonded in a 4-coordinate geometry to three K and one O atom. The O–O bond length is 1.28 Å. In the eighth O site, O is bonded in a distorted see-saw-like geometry to three K and one O atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.27 Å. In the eleventh O site, O is bonded in an L-shaped geometry to one K and one O atom. In the twelfth O site, O is bonded in a 2-coordinate geometry to two K and one O atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one O atom. In the fourteenth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom.},
doi = {10.17188/1655595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}