Materials Data on CrP4 by Materials Project

doi:10.17188/1287653

Title: Materials Data on CrP4 by Materials Project

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Abstract

CrP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr4+ is bonded to six P1- atoms to form edge-sharing CrP6 octahedra. There are a spread of Cr–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Cr4+ and three P1- atoms. There are two shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 4-coordinate geometry to two equivalent Cr4+ and two P1- atoms. The P–P bond length is 2.22 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-7302

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; CrP4; Cr-P

OSTI Identifier:: 1287653

DOI:: https://doi.org/10.17188/1287653

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                    The Materials Project. Materials Data on CrP4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287653.

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                    The Materials Project. Materials Data on CrP4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287653

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                    The Materials Project. 2020.  
"Materials Data on CrP4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287653.  https://www.osti.gov/servlets/purl/1287653. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1287653,

  title        = {Materials Data on CrP4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr4+ is bonded to six P1- atoms to form edge-sharing CrP6 octahedra. There are a spread of Cr–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Cr4+ and three P1- atoms. There are two shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 4-coordinate geometry to two equivalent Cr4+ and two P1- atoms. The P–P bond length is 2.22 Å.},

  doi          = {10.17188/1287653},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287653

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