Materials Data on K2SnBi by Materials Project

doi:10.17188/1205699

Title: Materials Data on K2SnBi by Materials Project

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Abstract

K2SnBi crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to four equivalent Sn and four equivalent Bi atoms. There are two shorter (3.88 Å) and two longer (4.09 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.62–3.90 Å. In the second K site, K is bonded in a 2-coordinate geometry to four equivalent Sn and four equivalent Bi atoms. There are two shorter (3.95 Å) and two longer (4.05 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.66–3.89 Å. Sn is bonded to eight K, two equivalent Sn, and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing SnK8Sn2Bi2 cuboctahedra. Both Sn–Sn bond lengths are 3.32 Å. Both Sn–Bi bond lengths are 3.08 Å. Bi is bonded in a 10-coordinate geometry to eight K and two equivalent Sn atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31486

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; K2SnBi; Bi-K-Sn

OSTI Identifier:: 1205699

DOI:: https://doi.org/10.17188/1205699

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                    The Materials Project. Materials Data on K2SnBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205699.

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                    The Materials Project. Materials Data on K2SnBi by Materials Project.  United States.  doi:https://doi.org/10.17188/1205699

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                    The Materials Project. 2020.  
"Materials Data on K2SnBi by Materials Project".  United States.  doi:https://doi.org/10.17188/1205699.  https://www.osti.gov/servlets/purl/1205699. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205699,

  title        = {Materials Data on K2SnBi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2SnBi crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to four equivalent Sn and four equivalent Bi atoms. There are two shorter (3.88 Å) and two longer (4.09 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.62–3.90 Å. In the second K site, K is bonded in a 2-coordinate geometry to four equivalent Sn and four equivalent Bi atoms. There are two shorter (3.95 Å) and two longer (4.05 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.66–3.89 Å. Sn is bonded to eight K, two equivalent Sn, and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing SnK8Sn2Bi2 cuboctahedra. Both Sn–Sn bond lengths are 3.32 Å. Both Sn–Bi bond lengths are 3.08 Å. Bi is bonded in a 10-coordinate geometry to eight K and two equivalent Sn atoms.},

  doi          = {10.17188/1205699},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205699

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