Materials Data on SmB4(IrOs)2 by Materials Project

doi:10.17188/1700758

Title: Materials Data on SmB4(IrOs)2 by Materials Project

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Abstract

SmB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to six B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.90–3.08 Å. Os2- is bonded in a 4-coordinate geometry to five B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.13–2.78 Å. Ir+3.50+ is bonded in a 4-coordinate geometry to four B+1.50- atoms. There are a spread of Ir–B bond distances ranging from 2.13–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 5-coordinate geometry to two equivalent Sm3+, four equivalent Os2-, one Ir+3.50+, and one B+1.50- atom. The B–B bond length is 1.81 Å. In the second B+1.50- site, B+1.50- is bonded in a 6-coordinate geometry to one Sm3+, one Os2-, three equivalent Ir+3.50+, and one B+1.50- atom.

Publication Date:: 2019-01-11

Other Number(s):: mp-1219112

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Ir-Os-Sm; SmB4(IrOs)2; crystal structure

OSTI Identifier:: 1700758

DOI:: https://doi.org/10.17188/1700758

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                    Materials Data on SmB4(IrOs)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1700758.

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                    Materials Data on SmB4(IrOs)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1700758

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                    2019.  
"Materials Data on SmB4(IrOs)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1700758.  https://www.osti.gov/servlets/purl/1700758. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1700758,

  title        = {Materials Data on SmB4(IrOs)2 by Materials Project},

  
  abstractNote = {SmB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to six B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.90–3.08 Å. Os2- is bonded in a 4-coordinate geometry to five B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.13–2.78 Å. Ir+3.50+ is bonded in a 4-coordinate geometry to four B+1.50- atoms. There are a spread of Ir–B bond distances ranging from 2.13–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 5-coordinate geometry to two equivalent Sm3+, four equivalent Os2-, one Ir+3.50+, and one B+1.50- atom. The B–B bond length is 1.81 Å. In the second B+1.50- site, B+1.50- is bonded in a 6-coordinate geometry to one Sm3+, one Os2-, three equivalent Ir+3.50+, and one B+1.50- atom.},

  doi          = {10.17188/1700758},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1700758

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