Materials Data on Sr(SmSe2)2 by Materials Project

doi:10.17188/1207476

Title: Materials Data on Sr(SmSe2)2 by Materials Project

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Abstract

Sr(SmSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.08 Å) and four longer (3.26 Å) Sr–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, faces with four equivalent SrSe8 hexagonal bipyramids, and faces with four equivalent SmSe8 hexagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.95–3.23 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Sm3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-38152

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; Sr(SmSe2)2; Se-Sm-Sr

OSTI Identifier:: 1207476

DOI:: https://doi.org/10.17188/1207476

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                    The Materials Project. Materials Data on Sr(SmSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207476.

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                    The Materials Project. Materials Data on Sr(SmSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207476

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                    The Materials Project. 2020.  
"Materials Data on Sr(SmSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207476.  https://www.osti.gov/servlets/purl/1207476. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1207476,

  title        = {Materials Data on Sr(SmSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(SmSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent SmSe8 hexagonal bipyramids. There are four shorter (3.08 Å) and four longer (3.26 Å) Sr–Se bond lengths. Sm3+ is bonded to eight equivalent Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, faces with four equivalent SrSe8 hexagonal bipyramids, and faces with four equivalent SmSe8 hexagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.95–3.23 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Sm3+ atoms.},

  doi          = {10.17188/1207476},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1207476

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