Materials Data on Eu(BiSe2)2 by Materials Project

doi:10.17188/1652507

Title: Materials Data on Eu(BiSe2)2 by Materials Project

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Abstract

Eu(BiSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.19–3.67 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.86–3.07 Å. In the second Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.95–3.00 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SeEu2Bi3 square pyramids. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to two equivalent Eu2+ andmore »« less

Publication Date:: 2019-01-10

Other Number(s):: mp-1193071

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; Bi-Eu-Se; crystal structure; Eu(BiSe2)2

OSTI Identifier:: 1652507

DOI:: https://doi.org/10.17188/1652507

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                    Materials Data on Eu(BiSe2)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652507.

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                    Materials Data on Eu(BiSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652507

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                    2019.  
"Materials Data on Eu(BiSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652507.  https://www.osti.gov/servlets/purl/1652507. Pub date:Thu Jan 10 19:00:00 EST 2019

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@article{osti_1652507,

  title        = {Materials Data on Eu(BiSe2)2 by Materials Project},

  
  abstractNote = {Eu(BiSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.19–3.67 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.86–3.07 Å. In the second Bi3+ site, Bi3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–70°. There are a spread of Bi–Se bond distances ranging from 2.95–3.00 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SeEu2Bi3 square pyramids. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing SeEu2Bi3 trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Bi3+ atoms.},

  doi          = {10.17188/1652507},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1652507

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