Materials Data on HfPRu by Materials Project

doi:10.17188/1191475

Title: Materials Data on HfPRu by Materials Project

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Abstract

HfRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.88 Å) and four longer (3.01 Å) Hf–Ru bond lengths. There are one shorter (2.68 Å) and four longer (2.71 Å) Hf–P bond lengths. Ru is bonded to six equivalent Hf, two equivalent Ru, and four P atoms to form a mixture of distorted corner, edge, and face-sharing RuHf6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.75 Å. All Ru–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-15963

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; HfPRu; Hf-P-Ru

OSTI Identifier:: 1191475

DOI:: https://doi.org/10.17188/1191475

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                    The Materials Project. Materials Data on HfPRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191475.

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                    The Materials Project. Materials Data on HfPRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1191475

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                    The Materials Project. 2020.  
"Materials Data on HfPRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1191475.  https://www.osti.gov/servlets/purl/1191475. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191475,

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

  author       = {The Materials Project},

  abstractNote = {HfRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.88 Å) and four longer (3.01 Å) Hf–Ru bond lengths. There are one shorter (2.68 Å) and four longer (2.71 Å) Hf–P bond lengths. Ru is bonded to six equivalent Hf, two equivalent Ru, and four P atoms to form a mixture of distorted corner, edge, and face-sharing RuHf6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.75 Å. All Ru–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ru atoms.},

  doi          = {10.17188/1191475},

  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/10.17188/1191475

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