Materials Data on Tb3(MnC3)2 by Materials Project

doi:10.17188/1202873

Title: Materials Data on Tb3(MnC3)2 by Materials Project

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Abstract

Tb3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb+3.33+ is bonded in a 8-coordinate geometry to eight C+2.33- atoms. There are a spread of Tb–C bond distances ranging from 2.47–2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.33- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.33- atoms. All Mn–C bond lengths are 1.83 Å. There are two inequivalent C+2.33- sites. In the first C+2.33- site, C+2.33- is bonded in a 7-coordinate geometry to four equivalent Tb+3.33+, two equivalent Mn2+, and one C+2.33- atom. The C–C bond length is 1.37 Å. In the second C+2.33- site, C+2.33- is bonded in a 6-coordinate geometry to four equivalent Tb+3.33+, one Mn2+, and one C+2.33- atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-28827

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; Tb3(MnC3)2; C-Mn-Tb

OSTI Identifier:: 1202873

DOI:: https://doi.org/10.17188/1202873

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                    The Materials Project. Materials Data on Tb3(MnC3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202873.

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                    The Materials Project. Materials Data on Tb3(MnC3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202873

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                    The Materials Project. 2020.  
"Materials Data on Tb3(MnC3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202873.  https://www.osti.gov/servlets/purl/1202873. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202873,

  title        = {Materials Data on Tb3(MnC3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb+3.33+ is bonded in a 8-coordinate geometry to eight C+2.33- atoms. There are a spread of Tb–C bond distances ranging from 2.47–2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.33- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.33- atoms. All Mn–C bond lengths are 1.83 Å. There are two inequivalent C+2.33- sites. In the first C+2.33- site, C+2.33- is bonded in a 7-coordinate geometry to four equivalent Tb+3.33+, two equivalent Mn2+, and one C+2.33- atom. The C–C bond length is 1.37 Å. In the second C+2.33- site, C+2.33- is bonded in a 6-coordinate geometry to four equivalent Tb+3.33+, one Mn2+, and one C+2.33- atom.},

  doi          = {10.17188/1202873},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202873

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