Materials Data on SmMoO5 by Materials Project

doi:10.17188/1676769

Title: Materials Data on SmMoO5 by Materials Project

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Abstract

SmMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.51 Å. Mo is bonded in a tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.78 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Sm, one Mo, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1209026

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; SmMoO5; Mo-O-Sm

OSTI Identifier:: 1676769

DOI:: https://doi.org/10.17188/1676769

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                    The Materials Project. Materials Data on SmMoO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676769.

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                    The Materials Project. Materials Data on SmMoO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676769

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                    The Materials Project. 2020.  
"Materials Data on SmMoO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676769.  https://www.osti.gov/servlets/purl/1676769. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1676769,

  title        = {Materials Data on SmMoO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.51 Å. Mo is bonded in a tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.78 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Sm, one Mo, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom.},

  doi          = {10.17188/1676769},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1676769

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