Materials Data on EuH4S2NO8 by Materials Project

doi:10.17188/1302689

Title: Materials Data on EuH4S2NO8 by Materials Project

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Abstract

Eu(SO4)2NH4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonium molecules and one Eu(SO4)2 sheet oriented in the (1, 0, 0) direction. In the Eu(SO4)2 sheet, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.44–2.64 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bondmore »« less

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-774926

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; EuH4S2NO8; Eu-H-N-O-S

OSTI Identifier:: 1302689

DOI:: https://doi.org/10.17188/1302689

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                    The Materials Project. Materials Data on EuH4S2NO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1302689.

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                    The Materials Project. Materials Data on EuH4S2NO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1302689

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                    The Materials Project. 2020.  
"Materials Data on EuH4S2NO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1302689.  https://www.osti.gov/servlets/purl/1302689. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1302689,

  title        = {Materials Data on EuH4S2NO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu(SO4)2NH4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonium molecules and one Eu(SO4)2 sheet oriented in the (1, 0, 0) direction. In the Eu(SO4)2 sheet, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.44–2.64 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Eu3+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Eu3+ and one S2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.},

  doi          = {10.17188/1302689},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1302689

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