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Title: Materials Data on KRb(SO4)2 by Materials Project

Abstract

RbK(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.33 Å. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.80–3.18 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, two equivalent K, and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb, one K, and one S atom. In the third O site, O is bonded in a single-bond geometry to one Rb, one K, and one S atom. In the fourth O site, O is bondedmore » in a distorted single-bond geometry to two equivalent Rb, one K, and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb, one K, and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one K, and one S atom.« less

Publication Date:
Other Number(s):
mp-1211652
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; KRb(SO4)2; K-O-Rb-S
OSTI Identifier:
1705409
DOI:
https://doi.org/10.17188/1705409

Citation Formats

The Materials Project. Materials Data on KRb(SO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705409.
The Materials Project. Materials Data on KRb(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705409
The Materials Project. 2019. "Materials Data on KRb(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705409. https://www.osti.gov/servlets/purl/1705409. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705409,
title = {Materials Data on KRb(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbK(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.33 Å. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.80–3.18 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, two equivalent K, and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb, one K, and one S atom. In the third O site, O is bonded in a single-bond geometry to one Rb, one K, and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one K, and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb, one K, and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one K, and one S atom.},
doi = {10.17188/1705409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}