Materials Data on Na3B5Pt9 by Materials Project

doi:10.17188/1262218

Title: Materials Data on Na3B5Pt9 by Materials Project

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Abstract

Na3Pt9B5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two equivalent Na1+ and twelve Pt2- atoms. Both Na–Na bond lengths are 2.89 Å. There are a spread of Na–Pt bond distances ranging from 2.98–3.44 Å. In the second Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two Na1+ and twelve Pt2- atoms. The Na–Na bond length is 2.98 Å. There are a spread of Na–Pt bond distances ranging from 3.11–3.31 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and four B3+ atoms. There are two shorter (2.23 Å) and two longer (2.33 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four Na1+ and three B3+ atoms. There are one shorter (2.13 Å) and two longer (2.16 Å) Pt–B bond lengths. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four Na1+ and three B3+ atoms. There are a spread of Pt–B bond distances ranging from 2.10–2.19 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-505055

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; Na3B5Pt9; B-Na-Pt

OSTI Identifier:: 1262218

DOI:: https://doi.org/10.17188/1262218

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                    The Materials Project. Materials Data on Na3B5Pt9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262218.

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                    The Materials Project. Materials Data on Na3B5Pt9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262218

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                    The Materials Project. 2020.  
"Materials Data on Na3B5Pt9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262218.  https://www.osti.gov/servlets/purl/1262218. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1262218,

  title        = {Materials Data on Na3B5Pt9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Pt9B5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two equivalent Na1+ and twelve Pt2- atoms. Both Na–Na bond lengths are 2.89 Å. There are a spread of Na–Pt bond distances ranging from 2.98–3.44 Å. In the second Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two Na1+ and twelve Pt2- atoms. The Na–Na bond length is 2.98 Å. There are a spread of Na–Pt bond distances ranging from 3.11–3.31 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Na1+ and four B3+ atoms. There are two shorter (2.23 Å) and two longer (2.33 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four Na1+ and three B3+ atoms. There are one shorter (2.13 Å) and two longer (2.16 Å) Pt–B bond lengths. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four Na1+ and three B3+ atoms. There are a spread of Pt–B bond distances ranging from 2.10–2.19 Å. In the fourth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to four Na1+ and three B3+ atoms. There are a spread of Pt–B bond distances ranging from 2.14–2.28 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second B3+ site, B3+ is bonded to six Pt2- atoms to form a mixture of distorted corner and edge-sharing BPt6 pentagonal pyramids. In the third B3+ site, B3+ is bonded in a 4-coordinate geometry to four Pt2- atoms.},

  doi          = {10.17188/1262218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262218

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