Materials Data on Ti6Sn5 by Materials Project

doi:10.17188/1195499

Title: Materials Data on Ti6Sn5 by Materials Project

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Abstract

Ti6Sn5 crystallizes in the hexagonal P6_3/mmc 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 four equivalent Ti and seven Sn atoms. All Ti–Ti bond lengths are 3.12 Å. There are a spread of Ti–Sn bond distances ranging from 2.85–2.99 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to six Ti and six Sn atoms. Both Ti–Ti bond lengths are 2.86 Å. There are four shorter (2.83 Å) and two longer (3.04 Å) Ti–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ti atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ti and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.86 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-20382

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; Ti6Sn5; Sn-Ti

OSTI Identifier:: 1195499

DOI:: https://doi.org/10.17188/1195499

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                    The Materials Project. Materials Data on Ti6Sn5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195499.

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                    The Materials Project. Materials Data on Ti6Sn5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195499

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                    The Materials Project. 2020.  
"Materials Data on Ti6Sn5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195499.  https://www.osti.gov/servlets/purl/1195499. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195499,

  title        = {Materials Data on Ti6Sn5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti6Sn5 crystallizes in the hexagonal P6_3/mmc 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 four equivalent Ti and seven Sn atoms. All Ti–Ti bond lengths are 3.12 Å. There are a spread of Ti–Sn bond distances ranging from 2.85–2.99 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to six Ti and six Sn atoms. Both Ti–Ti bond lengths are 2.86 Å. There are four shorter (2.83 Å) and two longer (3.04 Å) Ti–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ti atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ti and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.86 Å.},

  doi          = {10.17188/1195499},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195499

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