Materials Data on Mg2Ti2O5 by Materials Project

doi:10.17188/1320702

Title: Materials Data on Mg2Ti2O5 by Materials Project

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Abstract

Mg2Ti2O5 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.91–2.31 Å. In the second Ti3+ site, Ti3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.91–2.30 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti3+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra. In the third O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mvc-3762

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; Mg2Ti2O5; Mg-O-Ti

OSTI Identifier:: 1320702

DOI:: https://doi.org/10.17188/1320702

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                    The Materials Project. Materials Data on Mg2Ti2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320702.

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                    The Materials Project. Materials Data on Mg2Ti2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320702

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                    The Materials Project. 2020.  
"Materials Data on Mg2Ti2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320702.  https://www.osti.gov/servlets/purl/1320702. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1320702,

  title        = {Materials Data on Mg2Ti2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Ti2O5 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.91–2.31 Å. In the second Ti3+ site, Ti3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.91–2.30 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti3+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ti3+ atoms to form a mixture of edge and corner-sharing OMg2Ti2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ti3+ atoms to form a mixture of edge and corner-sharing OMg2Ti2 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti3+ atoms.},

  doi          = {10.17188/1320702},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1320702

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