Materials Data on CoP4F12 by Materials Project

doi:10.17188/1744598

Title: Materials Data on CoP4F12 by Materials Project

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Abstract

CoP4F12 is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CoP4F12 clusters. Co2+ is bonded in a tetrahedral geometry to four P+2.50+ atoms. There are two shorter (2.13 Å) and two longer (2.15 Å) Co–P bond lengths. There are two inequivalent P+2.50+ sites. In the first P+2.50+ site, P+2.50+ is bonded in a 3-coordinate geometry to one Co2+ and three F1- atoms. All P–F bond lengths are 1.58 Å. In the second P+2.50+ site, P+2.50+ is bonded in a 3-coordinate geometry to one Co2+ and three F1- atoms. There is two shorter (1.58 Å) and one longer (1.59 Å) P–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1203442

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; CoP4F12; Co-F-P

OSTI Identifier:: 1744598

DOI:: https://doi.org/10.17188/1744598

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                    The Materials Project. Materials Data on CoP4F12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744598.

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                    The Materials Project. Materials Data on CoP4F12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744598

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                    The Materials Project. 2020.  
"Materials Data on CoP4F12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744598.  https://www.osti.gov/servlets/purl/1744598. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1744598,

  title        = {Materials Data on CoP4F12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoP4F12 is gamma plutonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CoP4F12 clusters. Co2+ is bonded in a tetrahedral geometry to four P+2.50+ atoms. There are two shorter (2.13 Å) and two longer (2.15 Å) Co–P bond lengths. There are two inequivalent P+2.50+ sites. In the first P+2.50+ site, P+2.50+ is bonded in a 3-coordinate geometry to one Co2+ and three F1- atoms. All P–F bond lengths are 1.58 Å. In the second P+2.50+ site, P+2.50+ is bonded in a 3-coordinate geometry to one Co2+ and three F1- atoms. There is two shorter (1.58 Å) and one longer (1.59 Å) P–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one P+2.50+ atom.},

  doi          = {10.17188/1744598},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744598

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