Materials Data on Rb5GeP3 by Materials Project

doi:10.17188/1192811

Title: Materials Data on Rb5GeP3 by Materials Project

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Abstract

Rb5GeP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are one shorter (3.63 Å) and two longer (3.64 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.60–3.67 Å. In the fourth Rb1+ site, Rb1+ is bonded to four P3- atoms to form distorted corner-sharing RbP4 tetrahedra. There are a spread of Rb–P bond distances ranging from 3.48–3.53 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.50–3.62 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.29–2.31 Å. There are three inequivalent P3- sites. In the first P3- site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-17978

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; Rb5GeP3; Ge-P-Rb

OSTI Identifier:: 1192811

DOI:: https://doi.org/10.17188/1192811

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                    The Materials Project. Materials Data on Rb5GeP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192811.

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                    The Materials Project. Materials Data on Rb5GeP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192811

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                    The Materials Project. 2020.  
"Materials Data on Rb5GeP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192811.  https://www.osti.gov/servlets/purl/1192811. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1192811,

  title        = {Materials Data on Rb5GeP3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb5GeP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are one shorter (3.63 Å) and two longer (3.64 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.60–3.67 Å. In the fourth Rb1+ site, Rb1+ is bonded to four P3- atoms to form distorted corner-sharing RbP4 tetrahedra. There are a spread of Rb–P bond distances ranging from 3.48–3.53 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.50–3.62 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.29–2.31 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Rb1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Rb1+ and one Ge4+ atom.},

  doi          = {10.17188/1192811},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1192811

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