Materials Data on TiCd by Materials Project

doi:10.17188/1204906

Title: Materials Data on TiCd by Materials Project

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Abstract

TiCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent TiTi8Cd4 cuboctahedra, corners with eight equivalent CdTi4Cd8 cuboctahedra, edges with eight equivalent TiTi8Cd4 cuboctahedra, edges with sixteen equivalent CdTi4Cd8 cuboctahedra, faces with six equivalent CdTi4Cd8 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.12 Å. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form CdTi4Cd8 cuboctahedra that share corners with four equivalent CdTi4Cd8 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi4Cd8 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent TiTi8Cd4 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.22 Å) Cd–Cd bond lengths.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-30500

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; TiCd; Cd-Ti

OSTI Identifier:: 1204906

DOI:: https://doi.org/10.17188/1204906

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                    The Materials Project. Materials Data on TiCd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204906.

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                    The Materials Project. Materials Data on TiCd by Materials Project.  United States.  doi:https://doi.org/10.17188/1204906

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                    The Materials Project. 2020.  
"Materials Data on TiCd by Materials Project".  United States.  doi:https://doi.org/10.17188/1204906.  https://www.osti.gov/servlets/purl/1204906. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204906,

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

  author       = {The Materials Project},

  abstractNote = {TiCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent TiTi8Cd4 cuboctahedra, corners with eight equivalent CdTi4Cd8 cuboctahedra, edges with eight equivalent TiTi8Cd4 cuboctahedra, edges with sixteen equivalent CdTi4Cd8 cuboctahedra, faces with six equivalent CdTi4Cd8 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.12 Å. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form CdTi4Cd8 cuboctahedra that share corners with four equivalent CdTi4Cd8 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi4Cd8 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent TiTi8Cd4 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.22 Å) Cd–Cd bond lengths.},

  doi          = {10.17188/1204906},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204906

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