Materials Data on Ti5Sb3 by Materials Project

doi:10.17188/1197303

Title: Materials Data on Ti5Sb3 by Materials Project

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Abstract

Ti5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:: The Materials Project

Publication Date:: Thu Jun 06 00:00:00 EDT 2019

Other Number(s):: mp-22033

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; Ti5Sb3; Sb-Ti

OSTI Identifier:: 1197303

DOI:: https://doi.org/10.17188/1197303

Citation Formats


                    The Materials Project. Materials Data on Ti5Sb3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1197303.

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                    The Materials Project. Materials Data on Ti5Sb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197303

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                    The Materials Project. 2019.  
"Materials Data on Ti5Sb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197303.  https://www.osti.gov/servlets/purl/1197303. Pub date:Thu Jun 06 00:00:00 EDT 2019

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@article{osti_1197303,

  title        = {Materials Data on Ti5Sb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1197303},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jun 06 00:00:00 EDT 2019},

  month        = {Thu Jun 06 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1197303

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