Materials Data on Ba2PtAu by Materials Project

doi:10.17188/1282802

Title: Materials Data on Ba2PtAu by Materials Project

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Abstract

Ba2PtAu crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twelve inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are two shorter (3.34 Å) and one longer (3.39 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.35–3.51 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.35–3.49 Å. There are one shorter (3.41 Å) and two longer (3.44 Å) Ba–Au bond lengths. In the third Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are two shorter (3.34 Å) and one longer (3.40 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.34–3.51 Å. In the fourth Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.36–3.48 Å. There are one shorter (3.41 Å) and two longer (3.45 Å) Ba–Au bond lengths. In themore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-675690

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; Ba2PtAu; Au-Ba-Pt

OSTI Identifier:: 1282802

DOI:: https://doi.org/10.17188/1282802

Citation Formats


                    The Materials Project. Materials Data on Ba2PtAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282802.

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                    The Materials Project. Materials Data on Ba2PtAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1282802

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                    The Materials Project. 2020.  
"Materials Data on Ba2PtAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1282802.  https://www.osti.gov/servlets/purl/1282802. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1282802,

  title        = {Materials Data on Ba2PtAu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2PtAu crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twelve inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are two shorter (3.34 Å) and one longer (3.39 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.35–3.51 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.35–3.49 Å. There are one shorter (3.41 Å) and two longer (3.44 Å) Ba–Au bond lengths. In the third Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are two shorter (3.34 Å) and one longer (3.40 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.34–3.51 Å. In the fourth Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.36–3.48 Å. There are one shorter (3.41 Å) and two longer (3.45 Å) Ba–Au bond lengths. In the fifth Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are two shorter (3.32 Å) and one longer (3.41 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.35–3.53 Å. In the sixth Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. All Ba–Pt bond lengths are 3.40 Å. There are a spread of Ba–Au bond distances ranging from 3.39–3.47 Å. In the seventh Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.43–3.46 Å. All Ba–Au bond lengths are 3.39 Å. In the eighth Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.43–3.46 Å. There are two shorter (3.38 Å) and two longer (3.39 Å) Ba–Au bond lengths. In the ninth Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are two shorter (3.39 Å) and two longer (3.41 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.39–3.47 Å. In the tenth Ba site, Ba is bonded in a 7-coordinate geometry to three Pt and four Au atoms. There are two shorter (3.32 Å) and one longer (3.41 Å) Ba–Pt bond lengths. There are a spread of Ba–Au bond distances ranging from 3.35–3.53 Å. In the eleventh Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.36–3.47 Å. There are one shorter (3.42 Å) and two longer (3.45 Å) Ba–Au bond lengths. In the twelfth Ba site, Ba is bonded in a 7-coordinate geometry to four Pt and three Au atoms. There are a spread of Ba–Pt bond distances ranging from 3.35–3.48 Å. There are one shorter (3.42 Å) and two longer (3.45 Å) Ba–Au bond lengths. There are six inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.04 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.03 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.03 Å. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.03 Å. In the fifth Pt site, Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.03 Å. In the sixth Pt site, Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.02 Å. There are six inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms. In the second Au site, Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms. In the third Au site, Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms. In the fourth Au site, Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms. In the fifth Au site, Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms. In the sixth Au site, Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms.},

  doi          = {10.17188/1282802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282802

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