Materials Data on HfGa2 by Materials Project

doi:10.17188/1187832

Title: Materials Data on HfGa2 by Materials Project

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Abstract

HfGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Hf–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Hf and four equivalent Ga atoms. There are two shorter (3.03 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Hf and six Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-11440

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; HfGa2; Ga-Hf

OSTI Identifier:: 1187832

DOI:: https://doi.org/10.17188/1187832

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                    The Materials Project. Materials Data on HfGa2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187832.

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                    The Materials Project. Materials Data on HfGa2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187832

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                    The Materials Project. 2020.  
"Materials Data on HfGa2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187832.  https://www.osti.gov/servlets/purl/1187832. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187832,

  title        = {Materials Data on HfGa2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Hf–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Hf and four equivalent Ga atoms. There are two shorter (3.03 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Hf and six Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.},

  doi          = {10.17188/1187832},

  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/10.17188/1187832

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