Materials Data on Sr5Bi3 by Materials Project

doi:10.17188/1204065

Title: Materials Data on Sr5Bi3 by Materials Project

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Abstract

Sr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to six equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing SrBi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sr–Bi bond lengths are 3.56 Å. In the second Sr site, Sr is bonded in a 3-coordinate geometry to five equivalent Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.36–4.03 Å. Bi is bonded in a 9-coordinate geometry to nine Sr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-29620

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; Sr5Bi3; Bi-Sr

OSTI Identifier:: 1204065

DOI:: https://doi.org/10.17188/1204065

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                    The Materials Project. Materials Data on Sr5Bi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204065.

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                    The Materials Project. Materials Data on Sr5Bi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204065

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                    The Materials Project. 2020.  
"Materials Data on Sr5Bi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204065.  https://www.osti.gov/servlets/purl/1204065. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204065,

  title        = {Materials Data on Sr5Bi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to six equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing SrBi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sr–Bi bond lengths are 3.56 Å. In the second Sr site, Sr is bonded in a 3-coordinate geometry to five equivalent Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.36–4.03 Å. Bi is bonded in a 9-coordinate geometry to nine Sr atoms.},

  doi          = {10.17188/1204065},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204065

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