Materials Data on Ti3Nb by Materials Project

doi:10.17188/1666528

Title: Materials Data on Ti3Nb by Materials Project

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Abstract

Ti3Nb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to twelve Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.82–3.24 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to seven Ti and three equivalent Nb atoms. All Ti–Ti bond lengths are 2.90 Å. There are two shorter (2.84 Å) and one longer (3.01 Å) Ti–Nb bond lengths. Nb is bonded in a 12-coordinate geometry to six equivalent Ti and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.90 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1217091

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; Ti3Nb; Nb-Ti

OSTI Identifier:: 1666528

DOI:: https://doi.org/10.17188/1666528

Citation Formats


                    The Materials Project. Materials Data on Ti3Nb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666528.

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                    The Materials Project. Materials Data on Ti3Nb by Materials Project.  United States.  doi:https://doi.org/10.17188/1666528

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                    The Materials Project. 2020.  
"Materials Data on Ti3Nb by Materials Project".  United States.  doi:https://doi.org/10.17188/1666528.  https://www.osti.gov/servlets/purl/1666528. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1666528,

  title        = {Materials Data on Ti3Nb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Nb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to twelve Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.82–3.24 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to seven Ti and three equivalent Nb atoms. All Ti–Ti bond lengths are 2.90 Å. There are two shorter (2.84 Å) and one longer (3.01 Å) Ti–Nb bond lengths. Nb is bonded in a 12-coordinate geometry to six equivalent Ti and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.90 Å.},

  doi          = {10.17188/1666528},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1666528

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