Materials Data on Ti5Mn3 by Materials Project

doi:10.17188/1688123

Title: Materials Data on Ti5Mn3 by Materials Project

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Abstract

Ti5Mn3 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 8-coordinate geometry to eight Ti and six equivalent Mn atoms. There are two shorter (2.63 Å) and six longer (3.09 Å) Ti–Ti bond lengths. All Ti–Mn bond lengths are 2.56 Å. In the second Ti site, Ti is bonded in a 3-coordinate geometry to ten Ti and five equivalent Mn atoms. There are two shorter (2.96 Å) and four longer (3.14 Å) Ti–Ti bond lengths. There are a spread of Ti–Mn bond distances ranging from 2.49–2.87 Å. Mn is bonded in a 11-coordinate geometry to nine Ti atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1208237

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; Ti5Mn3; Mn-Ti

OSTI Identifier:: 1688123

DOI:: https://doi.org/10.17188/1688123

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                    The Materials Project. Materials Data on Ti5Mn3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1688123.

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                    The Materials Project. Materials Data on Ti5Mn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688123

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                    The Materials Project. 2019.  
"Materials Data on Ti5Mn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688123.  https://www.osti.gov/servlets/purl/1688123. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1688123,

  title        = {Materials Data on Ti5Mn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti5Mn3 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 8-coordinate geometry to eight Ti and six equivalent Mn atoms. There are two shorter (2.63 Å) and six longer (3.09 Å) Ti–Ti bond lengths. All Ti–Mn bond lengths are 2.56 Å. In the second Ti site, Ti is bonded in a 3-coordinate geometry to ten Ti and five equivalent Mn atoms. There are two shorter (2.96 Å) and four longer (3.14 Å) Ti–Ti bond lengths. There are a spread of Ti–Mn bond distances ranging from 2.49–2.87 Å. Mn is bonded in a 11-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1688123},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1688123

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