Materials Data on RbPPbS4 by Materials Project

doi:10.17188/1279726

Title: Materials Data on RbPPbS4 by Materials Project

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Abstract

RbPbPS4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.91 Å. Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.96–3.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.05–2.07 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Pb2+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-638009

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; RbPPbS4; P-Pb-Rb-S

OSTI Identifier:: 1279726

DOI:: https://doi.org/10.17188/1279726

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                    The Materials Project. Materials Data on RbPPbS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279726.

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                    The Materials Project. Materials Data on RbPPbS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279726

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                    The Materials Project. 2020.  
"Materials Data on RbPPbS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279726.  https://www.osti.gov/servlets/purl/1279726. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1279726,

  title        = {Materials Data on RbPPbS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbPbPS4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.91 Å. Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.96–3.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.05–2.07 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Pb2+, and one P5+ atom.},

  doi          = {10.17188/1279726},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279726

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