Materials Data on TmRu3C by Materials Project

doi:10.17188/1748480

Title: Materials Data on TmRu3C by Materials Project

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Abstract

TmRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Ru atoms to form TmRu12 cuboctahedra that share corners with twelve equivalent TmRu12 cuboctahedra, faces with six equivalent TmRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Tm–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Tm and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RuTm4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.07 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent TmRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1206773

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; TmRu3C; C-Ru-Tm

OSTI Identifier:: 1748480

DOI:: https://doi.org/10.17188/1748480

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                    The Materials Project. Materials Data on TmRu3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748480.

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                    The Materials Project. Materials Data on TmRu3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1748480

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                    The Materials Project. 2020.  
"Materials Data on TmRu3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1748480.  https://www.osti.gov/servlets/purl/1748480. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748480,

  title        = {Materials Data on TmRu3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Ru atoms to form TmRu12 cuboctahedra that share corners with twelve equivalent TmRu12 cuboctahedra, faces with six equivalent TmRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Tm–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Tm and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RuTm4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.07 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent TmRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1748480},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1748480

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