Materials Data on Sm2P3Pt4 by Materials Project

doi:10.17188/1683179

Title: Materials Data on Sm2P3Pt4 by Materials Project

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Abstract

Sm2Pt4P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. In the second Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 3-coordinate geometry to five Sm+2.50+ and three P+0.33- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Pt–P bond lengths. In the second Pt1- site, Pt1- is bonded in a 12-coordinate geometry to four equivalent Sm+2.50+ and four P+0.33- atoms. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–P bond lengths. There are four inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. In the second P+0.33- site, P+0.33- ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1219170

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; Sm2P3Pt4; P-Pt-Sm

OSTI Identifier:: 1683179

DOI:: https://doi.org/10.17188/1683179

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                    The Materials Project. Materials Data on Sm2P3Pt4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683179.

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                    The Materials Project. Materials Data on Sm2P3Pt4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683179

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                    The Materials Project. 2020.  
"Materials Data on Sm2P3Pt4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683179.  https://www.osti.gov/servlets/purl/1683179. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1683179,

  title        = {Materials Data on Sm2P3Pt4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Pt4P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. In the second Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 3-coordinate geometry to five Sm+2.50+ and three P+0.33- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Pt–P bond lengths. In the second Pt1- site, Pt1- is bonded in a 12-coordinate geometry to four equivalent Sm+2.50+ and four P+0.33- atoms. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–P bond lengths. There are four inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. In the second P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. There are a spread of P–Pt bond distances ranging from 2.33–2.52 Å. In the third P+0.33- site, P+0.33- is bonded in a 8-coordinate geometry to four Sm+2.50+ and four equivalent Pt1- atoms. In the fourth P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. All P–Sm bond lengths are 3.12 Å. The P–Pt bond length is 2.33 Å.},

  doi          = {10.17188/1683179},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1683179

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