Materials Data on Ti4H5 by Materials Project

doi:10.17188/1652155

Title: Materials Data on Ti4H5 by Materials Project

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Abstract

Ti4H5 is Matlockite-derived structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Ti–H bond distances ranging from 1.87–1.93 Å. There are three inequivalent H sites. In the first H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the third H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1095024

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; Ti4H5; H-Ti

OSTI Identifier:: 1652155

DOI:: https://doi.org/10.17188/1652155

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                    The Materials Project. Materials Data on Ti4H5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652155.

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                    The Materials Project. Materials Data on Ti4H5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652155

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                    The Materials Project. 2020.  
"Materials Data on Ti4H5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652155.  https://www.osti.gov/servlets/purl/1652155. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1652155,

  title        = {Materials Data on Ti4H5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti4H5 is Matlockite-derived structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Ti–H bond distances ranging from 1.87–1.93 Å. There are three inequivalent H sites. In the first H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the third H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra.},

  doi          = {10.17188/1652155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652155

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