Materials Data on Ti2Be17 by Materials Project

doi:10.17188/1183580

Title: Materials Data on Ti2Be17 by Materials Project

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Abstract

Be17Ti2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded in a 1-coordinate geometry to thirteen Be and one Ti atom. There are a spread of Be–Be bond distances ranging from 2.12–2.41 Å. The Be–Ti bond length is 2.55 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Ti atoms. There are four shorter (2.11 Å) and four longer (2.14 Å) Be–Be bond lengths. Both Be–Ti bond lengths are 2.79 Å. In the third Be site, Be is bonded to ten Be and two equivalent Ti atoms to form a mixture of distorted face, edge, and corner-sharing BeTi2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.25 Å. Both Be–Ti bond lengths are 2.60 Å. In the fourth Be site, Be is bonded in a 12-coordinate geometry to nine Be and three equivalent Ti atoms. Both Be–Be bond lengths are 2.10 Å. There are a spread of Be–Ti bond distances ranging from 2.66–2.81 Å. Ti is bonded in a 1-coordinate geometry to nineteen Be atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-12648

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; Ti2Be17; Be-Ti

OSTI Identifier:: 1183580

DOI:: https://doi.org/10.17188/1183580

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                    The Materials Project. Materials Data on Ti2Be17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1183580.

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                    The Materials Project. Materials Data on Ti2Be17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1183580

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                    The Materials Project. 2020.  
"Materials Data on Ti2Be17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1183580.  https://www.osti.gov/servlets/purl/1183580. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1183580,

  title        = {Materials Data on Ti2Be17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be17Ti2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded in a 1-coordinate geometry to thirteen Be and one Ti atom. There are a spread of Be–Be bond distances ranging from 2.12–2.41 Å. The Be–Ti bond length is 2.55 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Ti atoms. There are four shorter (2.11 Å) and four longer (2.14 Å) Be–Be bond lengths. Both Be–Ti bond lengths are 2.79 Å. In the third Be site, Be is bonded to ten Be and two equivalent Ti atoms to form a mixture of distorted face, edge, and corner-sharing BeTi2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.25 Å. Both Be–Ti bond lengths are 2.60 Å. In the fourth Be site, Be is bonded in a 12-coordinate geometry to nine Be and three equivalent Ti atoms. Both Be–Be bond lengths are 2.10 Å. There are a spread of Be–Ti bond distances ranging from 2.66–2.81 Å. Ti is bonded in a 1-coordinate geometry to nineteen Be atoms.},

  doi          = {10.17188/1183580},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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