Materials Data on Sm5Se9 by Materials Project

doi:10.17188/1284048

Title: Materials Data on Sm5Se9 by Materials Project

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Abstract

Sm5Se9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sm+2.40+ sites. In the first Sm+2.40+ site, Sm+2.40+ is bonded in a 9-coordinate geometry to nine Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 3.01–3.17 Å. In the second Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.90–3.18 Å. In the third Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.93–3.19 Å. In the fourth Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.12 Å. In the fifth Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.16 Å. There are nine inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sm+2.40+ and one Se+1.33- atom. The Se–Se bond length is 2.52 Å. In the second Se+1.33- site, Se+1.33- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-684959

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; Sm5Se9; Se-Sm

OSTI Identifier:: 1284048

DOI:: https://doi.org/10.17188/1284048

Citation Formats


                    The Materials Project. Materials Data on Sm5Se9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284048.

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                    The Materials Project. Materials Data on Sm5Se9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284048

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                    The Materials Project. 2020.  
"Materials Data on Sm5Se9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284048.  https://www.osti.gov/servlets/purl/1284048. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1284048,

  title        = {Materials Data on Sm5Se9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm5Se9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sm+2.40+ sites. In the first Sm+2.40+ site, Sm+2.40+ is bonded in a 9-coordinate geometry to nine Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 3.01–3.17 Å. In the second Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.90–3.18 Å. In the third Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.93–3.19 Å. In the fourth Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.12 Å. In the fifth Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.16 Å. There are nine inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sm+2.40+ and one Se+1.33- atom. The Se–Se bond length is 2.52 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to four Sm+2.40+ atoms. In the third Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the fourth Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the fifth Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sm+2.40+ and one Se+1.33- atom. The Se–Se bond length is 2.53 Å. In the sixth Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to four Sm+2.40+ atoms. In the seventh Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to five Sm+2.40+ atoms. In the eighth Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the ninth Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids.},

  doi          = {10.17188/1284048},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1284048

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