Materials Data on K2Sm2IrO7 by Materials Project

doi:10.17188/1268718

Title: Materials Data on K2Sm2IrO7 by Materials Project

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Abstract

K2Sm2IrO7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to six equivalent O atoms. There are three shorter (2.68 Å) and three longer (2.82 Å) K–O bond lengths. Sm is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sm–O bond distances ranging from 2.24–2.66 Å. Ir is bonded in an octahedral geometry to six equivalent O atoms. All Ir–O bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Sm atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent K, two equivalent Sm, and one Ir atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-555268

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; K2Sm2IrO7; Ir-K-O-Sm

OSTI Identifier:: 1268718

DOI:: https://doi.org/10.17188/1268718

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                    The Materials Project. Materials Data on K2Sm2IrO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268718.

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                    The Materials Project. Materials Data on K2Sm2IrO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268718

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                    The Materials Project. 2020.  
"Materials Data on K2Sm2IrO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268718.  https://www.osti.gov/servlets/purl/1268718. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1268718,

  title        = {Materials Data on K2Sm2IrO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Sm2IrO7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to six equivalent O atoms. There are three shorter (2.68 Å) and three longer (2.82 Å) K–O bond lengths. Sm is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sm–O bond distances ranging from 2.24–2.66 Å. Ir is bonded in an octahedral geometry to six equivalent O atoms. All Ir–O bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Sm atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent K, two equivalent Sm, and one Ir atom.},

  doi          = {10.17188/1268718},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268718

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