Materials Data on Rb3GaP2 by Materials Project

doi:10.17188/1203712

Title: Materials Data on Rb3GaP2 by Materials Project

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Abstract

Rb3GaP2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.49–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.39–3.64 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.56–3.92 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.63 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Rb–P bond distances ranging from 3.38–3.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-29363

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; Rb3GaP2; Ga-P-Rb

OSTI Identifier:: 1203712

DOI:: https://doi.org/10.17188/1203712

Citation Formats


                    The Materials Project. Materials Data on Rb3GaP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203712.

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                    The Materials Project. Materials Data on Rb3GaP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203712

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                    The Materials Project. 2020.  
"Materials Data on Rb3GaP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203712.  https://www.osti.gov/servlets/purl/1203712. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1203712,

  title        = {Materials Data on Rb3GaP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3GaP2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.49–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.39–3.64 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.56–3.92 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.63 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Rb–P bond distances ranging from 3.38–3.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ga–P bond distances ranging from 2.28–2.41 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are one shorter (2.25 Å) and two longer (2.40 Å) Ga–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 2-coordinate geometry to four Rb1+ and two Ga3+ atoms. In the second P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ga3+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to five Rb1+ and two Ga3+ atoms. In the fourth P3- site, P3- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.},

  doi          = {10.17188/1203712},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203712

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