Materials Data on ReP3 by Materials Project

doi:10.17188/1314557

Title: Materials Data on ReP3 by Materials Project

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Abstract

ReP3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re7+ is bonded in a distorted body-centered cubic geometry to fourteen P+2.33- atoms. There are eight shorter (2.60 Å) and six longer (3.01 Å) Re–P bond lengths. There are two inequivalent P+2.33- sites. In the first P+2.33- site, P+2.33- is bonded in a body-centered cubic geometry to four equivalent Re7+ and four equivalent P+2.33- atoms. All P–P bond lengths are 2.60 Å. In the second P+2.33- site, P+2.33- is bonded in a 8-coordinate geometry to six equivalent Re7+ and eight equivalent P+2.33- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-974565

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; ReP3; P-Re

OSTI Identifier:: 1314557

DOI:: https://doi.org/10.17188/1314557

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                    The Materials Project. Materials Data on ReP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314557.

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                    The Materials Project. Materials Data on ReP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314557

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                    The Materials Project. 2020.  
"Materials Data on ReP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314557.  https://www.osti.gov/servlets/purl/1314557. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314557,

  title        = {Materials Data on ReP3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReP3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re7+ is bonded in a distorted body-centered cubic geometry to fourteen P+2.33- atoms. There are eight shorter (2.60 Å) and six longer (3.01 Å) Re–P bond lengths. There are two inequivalent P+2.33- sites. In the first P+2.33- site, P+2.33- is bonded in a body-centered cubic geometry to four equivalent Re7+ and four equivalent P+2.33- atoms. All P–P bond lengths are 2.60 Å. In the second P+2.33- site, P+2.33- is bonded in a 8-coordinate geometry to six equivalent Re7+ and eight equivalent P+2.33- atoms.},

  doi          = {10.17188/1314557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314557

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