Materials Data on KRb(SO4)2 by Materials Project

doi:10.17188/1705409

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

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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 »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1211652

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; KRb(SO4)2; K-O-Rb-S

OSTI Identifier:: 1705409

DOI:: https://doi.org/10.17188/1705409

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                    The Materials Project. Materials Data on KRb(SO4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1705409.

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                    The Materials Project. Materials Data on KRb(SO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705409

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1705409

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