Materials Data on MgUS2O21 by Materials Project

doi:10.17188/1680490

Title: Materials Data on MgUS2O21 by Materials Project

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Abstract

MgUS2O21 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two MgUS2O21 ribbons oriented in the (-1, 0, 1) direction. Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.01 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.42 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.28 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.21 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg andmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1181299

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; MgUS2O21; Mg-O-S-U

OSTI Identifier:: 1680490

DOI:: https://doi.org/10.17188/1680490

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                    The Materials Project. Materials Data on MgUS2O21 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680490.

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                    The Materials Project. Materials Data on MgUS2O21 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680490

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                    The Materials Project. 2020.  
"Materials Data on MgUS2O21 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680490.  https://www.osti.gov/servlets/purl/1680490. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1680490,

  title        = {Materials Data on MgUS2O21 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgUS2O21 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two MgUS2O21 ribbons oriented in the (-1, 0, 1) direction. Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.01 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.42 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.28 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.21 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.36 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to two O atoms. The O–O bond length is 1.93 Å. In the tenth O site, O is bonded in a single-bond geometry to one S atom. In the eleventh O site, O is bonded in a single-bond geometry to one S and one O atom.},

  doi          = {10.17188/1680490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1680490

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