Materials Data on HfP2 by Materials Project

doi:10.17188/1758077

Title: Materials Data on HfP2 by Materials Project

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Abstract

HfP2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Hf–P bond distances ranging from 2.68–2.79 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to five equivalent Hf4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.75 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Hf4+ and four P2- atoms. Both P–P bond lengths are 2.36 Å.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1102018

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; HfP2; Hf-P

OSTI Identifier:: 1758077

DOI:: https://doi.org/10.17188/1758077

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                    The Materials Project. Materials Data on HfP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758077.

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                    The Materials Project. Materials Data on HfP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758077

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                    The Materials Project. 2020.  
"Materials Data on HfP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758077.  https://www.osti.gov/servlets/purl/1758077. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758077,

  title        = {Materials Data on HfP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfP2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Hf–P bond distances ranging from 2.68–2.79 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to five equivalent Hf4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.75 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Hf4+ and four P2- atoms. Both P–P bond lengths are 2.36 Å.},

  doi          = {10.17188/1758077},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758077

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