Materials Data on CrP2 by Materials Project

doi:10.17188/1287641

Title: Materials Data on CrP2 by Materials Project

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Abstract

CrP2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are a spread of Cr–P bond distances ranging from 2.34–2.48 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to three equivalent Cr6+ and three equivalent P3- atoms. There are one shorter (2.19 Å) and two longer (2.47 Å) P–P bond lengths. In the second P3- site, P3- is bonded in a 5-coordinate geometry to five equivalent Cr6+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7291

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; CrP2; Cr-P

OSTI Identifier:: 1287641

DOI:: https://doi.org/10.17188/1287641

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                    The Materials Project. Materials Data on CrP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287641.

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                    The Materials Project. Materials Data on CrP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287641

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                    The Materials Project. 2020.  
"Materials Data on CrP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287641.  https://www.osti.gov/servlets/purl/1287641. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1287641,

  title        = {Materials Data on CrP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrP2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are a spread of Cr–P bond distances ranging from 2.34–2.48 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to three equivalent Cr6+ and three equivalent P3- atoms. There are one shorter (2.19 Å) and two longer (2.47 Å) P–P bond lengths. In the second P3- site, P3- is bonded in a 5-coordinate geometry to five equivalent Cr6+ atoms.},

  doi          = {10.17188/1287641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287641

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