Materials Data on HfGePd by Materials Project

doi:10.17188/1192668

Title: Materials Data on HfGePd by Materials Project

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Abstract

HfPdGe crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 10-coordinate geometry to five Pd and five Ge atoms. There are a spread of Hf–Pd bond distances ranging from 3.01–3.22 Å. There are a spread of Hf–Ge bond distances ranging from 2.78–2.83 Å. In the second Hf site, Hf is bonded in a 12-coordinate geometry to seven Pd and five Ge atoms. There are a spread of Hf–Pd bond distances ranging from 2.97–3.19 Å. There are a spread of Hf–Ge bond distances ranging from 2.82–2.85 Å. In the third Hf site, Hf is bonded in a 5-coordinate geometry to six Pd and five Ge atoms. There are a spread of Hf–Pd bond distances ranging from 3.00–3.30 Å. There are a spread of Hf–Ge bond distances ranging from 2.76–2.85 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five Hf, three Pd, and four Ge atoms. There are one shorter (2.85 Å) and two longer (2.89 Å) Pd–Pd bond lengths. There are one shorter (2.52 Å) and three longer (2.62 Å) Pd–Gemore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-17746

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; HfGePd; Ge-Hf-Pd

OSTI Identifier:: 1192668

DOI:: https://doi.org/10.17188/1192668

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                    The Materials Project. Materials Data on HfGePd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192668.

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                    The Materials Project. Materials Data on HfGePd by Materials Project.  United States.  doi:https://doi.org/10.17188/1192668

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                    The Materials Project. 2020.  
"Materials Data on HfGePd by Materials Project".  United States.  doi:https://doi.org/10.17188/1192668.  https://www.osti.gov/servlets/purl/1192668. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1192668,

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

  author       = {The Materials Project},

  abstractNote = {HfPdGe crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 10-coordinate geometry to five Pd and five Ge atoms. There are a spread of Hf–Pd bond distances ranging from 3.01–3.22 Å. There are a spread of Hf–Ge bond distances ranging from 2.78–2.83 Å. In the second Hf site, Hf is bonded in a 12-coordinate geometry to seven Pd and five Ge atoms. There are a spread of Hf–Pd bond distances ranging from 2.97–3.19 Å. There are a spread of Hf–Ge bond distances ranging from 2.82–2.85 Å. In the third Hf site, Hf is bonded in a 5-coordinate geometry to six Pd and five Ge atoms. There are a spread of Hf–Pd bond distances ranging from 3.00–3.30 Å. There are a spread of Hf–Ge bond distances ranging from 2.76–2.85 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five Hf, three Pd, and four Ge atoms. There are one shorter (2.85 Å) and two longer (2.89 Å) Pd–Pd bond lengths. There are one shorter (2.52 Å) and three longer (2.62 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to six Hf, two equivalent Pd, and four Ge atoms. Both Pd–Pd bond lengths are 2.92 Å. There are a spread of Pd–Ge bond distances ranging from 2.54–2.67 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to seven Hf, one Pd, and four Ge atoms. There are one shorter (2.52 Å) and three longer (2.56 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Hf and five Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Hf and three Pd atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Hf and four Pd atoms.},

  doi          = {10.17188/1192668},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192668

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