Materials Data on Ti5Sn3Au by Materials Project

doi:10.17188/1740422

Title: Materials Data on Ti5Sn3Au by Materials Project

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Abstract

Ti5AuSn3 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 7-coordinate geometry to two equivalent Au and five equivalent Sn atoms. Both Ti–Au bond lengths are 2.74 Å. There are a spread of Ti–Sn bond distances ranging from 2.80–2.95 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. Both Ti–Ti bond lengths are 2.83 Å. All Ti–Sn bond lengths are 2.95 Å. Au is bonded to six equivalent Ti atoms to form distorted face-sharing AuTi6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1208220

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; Ti5Sn3Au; Au-Sn-Ti

OSTI Identifier:: 1740422

DOI:: https://doi.org/10.17188/1740422

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                    The Materials Project. Materials Data on Ti5Sn3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740422.

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                    The Materials Project. Materials Data on Ti5Sn3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1740422

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                    The Materials Project. 2020.  
"Materials Data on Ti5Sn3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1740422.  https://www.osti.gov/servlets/purl/1740422. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1740422,

  title        = {Materials Data on Ti5Sn3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti5AuSn3 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 7-coordinate geometry to two equivalent Au and five equivalent Sn atoms. Both Ti–Au bond lengths are 2.74 Å. There are a spread of Ti–Sn bond distances ranging from 2.80–2.95 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. Both Ti–Ti bond lengths are 2.83 Å. All Ti–Sn bond lengths are 2.95 Å. Au is bonded to six equivalent Ti atoms to form distorted face-sharing AuTi6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1740422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740422

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