Materials Data on Ti2CdC by Materials Project

doi:10.17188/1317059

Title: Materials Data on Ti2CdC by Materials Project

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Abstract

Ti2CdC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Cd and three equivalent C atoms. All Ti–Cd bond lengths are 3.08 Å. All Ti–C bond lengths are 2.12 Å. Cd is bonded to six equivalent Ti and six equivalent Cd atoms to form CdTi6Cd6 cuboctahedra that share corners with six equivalent CdTi6Cd6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent CdTi6Cd6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent CdTi6Cd6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All Cd–Cd bond lengths are 3.11 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CdTi6Cd6 cuboctahedra, edges with six equivalent CdTi6Cd6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-9961

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; Ti2CdC; C-Cd-Ti

OSTI Identifier:: 1317059

DOI:: https://doi.org/10.17188/1317059

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                    The Materials Project. Materials Data on Ti2CdC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317059.

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                    The Materials Project. Materials Data on Ti2CdC by Materials Project.  United States.  doi:https://doi.org/10.17188/1317059

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                    The Materials Project. 2020.  
"Materials Data on Ti2CdC by Materials Project".  United States.  doi:https://doi.org/10.17188/1317059.  https://www.osti.gov/servlets/purl/1317059. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1317059,

  title        = {Materials Data on Ti2CdC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2CdC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Cd and three equivalent C atoms. All Ti–Cd bond lengths are 3.08 Å. All Ti–C bond lengths are 2.12 Å. Cd is bonded to six equivalent Ti and six equivalent Cd atoms to form CdTi6Cd6 cuboctahedra that share corners with six equivalent CdTi6Cd6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent CdTi6Cd6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent CdTi6Cd6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All Cd–Cd bond lengths are 3.11 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CdTi6Cd6 cuboctahedra, edges with six equivalent CdTi6Cd6 cuboctahedra, and edges with six equivalent CTi6 octahedra.},

  doi          = {10.17188/1317059},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317059

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