Materials Data on Zr2CoP by Materials Project

doi:10.17188/1203280

Title: Materials Data on Zr2CoP by Materials Project

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Abstract

Zr2CoP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to four equivalent Co and three equivalent P atoms. There are a spread of Zr–Co bond distances ranging from 2.65–2.86 Å. There are two shorter (2.76 Å) and one longer (2.81 Å) Zr–P bond lengths. In the second Zr site, Zr is bonded in a 7-coordinate geometry to three equivalent Co and four equivalent P atoms. There are two shorter (2.69 Å) and one longer (2.88 Å) Zr–Co bond lengths. There are a spread of Zr–P bond distances ranging from 2.74–2.80 Å. Co is bonded in a 9-coordinate geometry to seven Zr and two equivalent P atoms. Both Co–P bond lengths are 2.32 Å. P is bonded in a 9-coordinate geometry to seven Zr and two equivalent Co atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-29152

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; Zr2CoP; Co-P-Zr

OSTI Identifier:: 1203280

DOI:: https://doi.org/10.17188/1203280

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                    The Materials Project. Materials Data on Zr2CoP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203280.

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                    The Materials Project. Materials Data on Zr2CoP by Materials Project.  United States.  doi:https://doi.org/10.17188/1203280

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                    The Materials Project. 2020.  
"Materials Data on Zr2CoP by Materials Project".  United States.  doi:https://doi.org/10.17188/1203280.  https://www.osti.gov/servlets/purl/1203280. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1203280,

  title        = {Materials Data on Zr2CoP by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr2CoP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to four equivalent Co and three equivalent P atoms. There are a spread of Zr–Co bond distances ranging from 2.65–2.86 Å. There are two shorter (2.76 Å) and one longer (2.81 Å) Zr–P bond lengths. In the second Zr site, Zr is bonded in a 7-coordinate geometry to three equivalent Co and four equivalent P atoms. There are two shorter (2.69 Å) and one longer (2.88 Å) Zr–Co bond lengths. There are a spread of Zr–P bond distances ranging from 2.74–2.80 Å. Co is bonded in a 9-coordinate geometry to seven Zr and two equivalent P atoms. Both Co–P bond lengths are 2.32 Å. P is bonded in a 9-coordinate geometry to seven Zr and two equivalent Co atoms.},

  doi          = {10.17188/1203280},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203280

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