Materials Data on Ti4AlGe7 by Materials Project

doi:10.17188/1744706

Title: Materials Data on Ti4AlGe7 by Materials Project

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Abstract

Ti4AlGe7 is Zirconium Disilicide-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.82 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.95 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.68–3.06 Å. Al is bonded in a distorted square co-planar geometry to four equivalent Ti and four equivalent Ge atoms. All Al–Ge bond lengths are 2.62 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.62 Å. In the fourth Gemore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1217144

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; Ti4AlGe7; Al-Ge-Ti

OSTI Identifier:: 1744706

DOI:: https://doi.org/10.17188/1744706

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                    The Materials Project. Materials Data on Ti4AlGe7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744706.

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                    The Materials Project. Materials Data on Ti4AlGe7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744706

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                    The Materials Project. 2020.  
"Materials Data on Ti4AlGe7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744706.  https://www.osti.gov/servlets/purl/1744706. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1744706,

  title        = {Materials Data on Ti4AlGe7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti4AlGe7 is Zirconium Disilicide-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.82 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.95 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.68–3.06 Å. Al is bonded in a distorted square co-planar geometry to four equivalent Ti and four equivalent Ge atoms. All Al–Ge bond lengths are 2.62 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.62 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Al atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ge atoms.},

  doi          = {10.17188/1744706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744706

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