Materials Data on Ti5Ga4 by Materials Project

doi:10.17188/1205047

Title: Materials Data on Ti5Ga4 by Materials Project

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Abstract

Ti5Ga4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.71 Å. All Ti–Ga bond lengths are 2.82 Å. In the second Ti site, Ti is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.64–2.80 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ti atoms to form distorted face-sharing GaTi6 octahedra. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-30675

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; Ti5Ga4; Ga-Ti

OSTI Identifier:: 1205047

DOI:: https://doi.org/10.17188/1205047

Citation Formats


                    The Materials Project. Materials Data on Ti5Ga4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205047.

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                    The Materials Project. Materials Data on Ti5Ga4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205047

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                    The Materials Project. 2020.  
"Materials Data on Ti5Ga4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205047.  https://www.osti.gov/servlets/purl/1205047. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205047,

  title        = {Materials Data on Ti5Ga4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti5Ga4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.71 Å. All Ti–Ga bond lengths are 2.82 Å. In the second Ti site, Ti is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.64–2.80 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ti atoms to form distorted face-sharing GaTi6 octahedra. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1205047},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205047

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