Materials Data on NaTi3 by Materials Project

doi:10.17188/1732500

Title: Materials Data on NaTi3 by Materials Project

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Abstract

NaTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ti atoms to form a mixture of face and corner-sharing NaTi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.07 Å) Na–Ti bond lengths. Ti is bonded in a 12-coordinate geometry to four equivalent Na and eight equivalent Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.83–3.30 Å.

Publication Date:: 2020-05-03

Other Number(s):: mp-1186192

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Na-Ti; NaTi3; crystal structure

OSTI Identifier:: 1732500

DOI:: https://doi.org/10.17188/1732500

Citation Formats


                    Materials Data on NaTi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732500.

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                    Materials Data on NaTi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732500

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                    2020.  
"Materials Data on NaTi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732500.  https://www.osti.gov/servlets/purl/1732500. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1732500,

  title        = {Materials Data on NaTi3 by Materials Project},

  
  abstractNote = {NaTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ti atoms to form a mixture of face and corner-sharing NaTi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.07 Å) Na–Ti bond lengths. Ti is bonded in a 12-coordinate geometry to four equivalent Na and eight equivalent Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.83–3.30 Å.},

  doi          = {10.17188/1732500},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732500

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