Materials Data on Tm6Mn23 by Materials Project

doi:10.17188/1662187

Title: Materials Data on Tm6Mn23 by Materials Project

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Abstract

Tm6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.91–3.02 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Tm and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.50 Å. In the third Mn site, Mn is bonded to four equivalent Tm and eight Mn atoms to form a mixture of face and corner-sharing MnTm4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.60 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Tm and ten Mn atoms. All Mn–Mn bond lengths are 2.89 Å.

Authors:: The Materials Project

Publication Date:: 2020-06-24

Other Number(s):: mp-1192498

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; Tm6Mn23; Mn-Tm

OSTI Identifier:: 1662187

DOI:: https://doi.org/10.17188/1662187

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                    The Materials Project. Materials Data on Tm6Mn23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662187.

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                    The Materials Project. Materials Data on Tm6Mn23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662187

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                    The Materials Project. 2020.  
"Materials Data on Tm6Mn23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662187.  https://www.osti.gov/servlets/purl/1662187. Pub date:Wed Jun 24 00:00:00 EDT 2020

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@article{osti_1662187,

  title        = {Materials Data on Tm6Mn23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.91–3.02 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Tm and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.50 Å. In the third Mn site, Mn is bonded to four equivalent Tm and eight Mn atoms to form a mixture of face and corner-sharing MnTm4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.60 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Tm and ten Mn atoms. All Mn–Mn bond lengths are 2.89 Å.},

  doi          = {10.17188/1662187},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1662187

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