Materials Data on MoP2 by Materials Project

doi:10.17188/1193576

Title: Materials Data on MoP2 by Materials Project

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Abstract

MoP2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mo6+ is bonded to seven P3- atoms to form a mixture of distorted edge, face, and corner-sharing MoP7 pentagonal bipyramids. There are two shorter (2.49 Å) and five longer (2.50 Å) Mo–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 5-coordinate geometry to four equivalent Mo6+ and one P3- atom. The P–P bond length is 2.17 Å. In the second P3- site, P3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mo6+ and one P3- atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1887

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; MoP2; Mo-P

OSTI Identifier:: 1193576

DOI:: https://doi.org/10.17188/1193576

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                    The Materials Project. Materials Data on MoP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193576.

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                    The Materials Project. Materials Data on MoP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193576

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                    The Materials Project. 2020.  
"Materials Data on MoP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193576.  https://www.osti.gov/servlets/purl/1193576. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1193576,

  title        = {Materials Data on MoP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoP2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mo6+ is bonded to seven P3- atoms to form a mixture of distorted edge, face, and corner-sharing MoP7 pentagonal bipyramids. There are two shorter (2.49 Å) and five longer (2.50 Å) Mo–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 5-coordinate geometry to four equivalent Mo6+ and one P3- atom. The P–P bond length is 2.17 Å. In the second P3- site, P3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mo6+ and one P3- atom.},

  doi          = {10.17188/1193576},

  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/10.17188/1193576

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