Materials Data on Na4CaSn6 by Materials Project

doi:10.17188/1274324

Title: Materials Data on Na4CaSn6 by Materials Project

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Abstract

Na4CaSn6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to eight equivalent Sn atoms. There are four shorter (3.35 Å) and four longer (3.66 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Na–Sn bond lengths are 3.27 Å. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. There are six shorter (3.34 Å) and six longer (3.63 Å) Ca–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to five Na, two equivalent Ca, and three equivalent Sn atoms. There are two shorter (3.02 Å) and one longer (3.05 Å) Sn–Sn bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-568234

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; Na4CaSn6; Ca-Na-Sn

OSTI Identifier:: 1274324

DOI:: https://doi.org/10.17188/1274324

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                    The Materials Project. Materials Data on Na4CaSn6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274324.

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                    The Materials Project. Materials Data on Na4CaSn6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274324

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                    The Materials Project. 2020.  
"Materials Data on Na4CaSn6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274324.  https://www.osti.gov/servlets/purl/1274324. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1274324,

  title        = {Materials Data on Na4CaSn6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4CaSn6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to eight equivalent Sn atoms. There are four shorter (3.35 Å) and four longer (3.66 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Na–Sn bond lengths are 3.27 Å. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. There are six shorter (3.34 Å) and six longer (3.63 Å) Ca–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to five Na, two equivalent Ca, and three equivalent Sn atoms. There are two shorter (3.02 Å) and one longer (3.05 Å) Sn–Sn bond lengths.},

  doi          = {10.17188/1274324},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274324

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