Materials Data on Ti3B4Mo3 by Materials Project

doi:10.17188/1675760

Title: Materials Data on Ti3B4Mo3 by Materials Project

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Abstract

Ti3Mo3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ti–B bond distances ranging from 2.43–2.45 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.36 Å) and two longer (2.43 Å) Ti–B bond lengths. There are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.38 Å) and two longer (2.41 Å) Mo–B bond lengths. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Mo–B bond distances ranging from 2.36–2.41 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Ti2+, six Mo2+, and one B3- atom. The B–B bond length is 1.84 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four Ti2+, four equivalent Mo2+,more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217082

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; Ti3B4Mo3; B-Mo-Ti

OSTI Identifier:: 1675760

DOI:: https://doi.org/10.17188/1675760

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                    The Materials Project. Materials Data on Ti3B4Mo3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675760.

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                    The Materials Project. Materials Data on Ti3B4Mo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675760

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                    The Materials Project. 2020.  
"Materials Data on Ti3B4Mo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675760.  https://www.osti.gov/servlets/purl/1675760. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1675760,

  title        = {Materials Data on Ti3B4Mo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Mo3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ti–B bond distances ranging from 2.43–2.45 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.36 Å) and two longer (2.43 Å) Ti–B bond lengths. There are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.38 Å) and two longer (2.41 Å) Mo–B bond lengths. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Mo–B bond distances ranging from 2.36–2.41 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Ti2+, six Mo2+, and one B3- atom. The B–B bond length is 1.84 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four Ti2+, four equivalent Mo2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four Ti2+, four Mo2+, and one B3- atom. The B–B bond length is 1.82 Å.},

  doi          = {10.17188/1675760},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675760

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