Materials Data on RbPS3 by Materials Project

doi:10.17188/1269624

Title: Materials Data on RbPS3 by Materials Project

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Abstract

RbPS3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten S2- atoms. There are six shorter (3.65 Å) and four longer (3.83 Å) Rb–S bond lengths. P5+ is bonded to four S2- atoms to form edge-sharing PS4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent P5+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-556953

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; RbPS3; P-Rb-S

OSTI Identifier:: 1269624

DOI:: https://doi.org/10.17188/1269624

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                    The Materials Project. Materials Data on RbPS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269624.

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                    The Materials Project. Materials Data on RbPS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269624

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                    The Materials Project. 2020.  
"Materials Data on RbPS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269624.  https://www.osti.gov/servlets/purl/1269624. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269624,

  title        = {Materials Data on RbPS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbPS3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten S2- atoms. There are six shorter (3.65 Å) and four longer (3.83 Å) Rb–S bond lengths. P5+ is bonded to four S2- atoms to form edge-sharing PS4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent P5+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one P5+ atom.},

  doi          = {10.17188/1269624},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269624

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