Materials Data on Sm2As4O9 by Materials Project

doi:10.17188/1208403

Title: Materials Data on Sm2As4O9 by Materials Project

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Abstract

Sm2As4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.36–2.87 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.36–2.71 Å. There are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.76–1.88 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.75–1.88 Å. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.75–1.90 Å. In the fourth As3+ site, As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.76–1.93 Å. There are ninemore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-4794

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; Sm2As4O9; As-O-Sm

OSTI Identifier:: 1208403

DOI:: https://doi.org/10.17188/1208403

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                    The Materials Project. Materials Data on Sm2As4O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208403.

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                    The Materials Project. Materials Data on Sm2As4O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208403

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                    The Materials Project. 2020.  
"Materials Data on Sm2As4O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208403.  https://www.osti.gov/servlets/purl/1208403. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1208403,

  title        = {Materials Data on Sm2As4O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2As4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.36–2.87 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.36–2.71 Å. There are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.76–1.88 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.75–1.88 Å. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.75–1.90 Å. In the fourth As3+ site, As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.76–1.93 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sm3+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sm3+ and two As3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two As3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+ and one As3+ atom. In the fifth O2- site, O2- is bonded to three Sm3+ and one As3+ atom to form distorted edge-sharing OSm3As tetrahedra. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Sm3+ and one As3+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one As3+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one As3+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sm3+ and two As3+ atoms.},

  doi          = {10.17188/1208403},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208403

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