Materials Data on Dy(PPt4)2 by Materials Project

doi:10.17188/1274690

Title: Materials Data on Dy(PPt4)2 by Materials Project

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Abstract

Dy(Pt4P)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Dy(Pt4P)2 sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to twelve Pt+0.62- atoms to form distorted face-sharing DyPt12 cuboctahedra. There are a spread of Dy–Pt bond distances ranging from 3.06–3.30 Å. There are four inequivalent Pt+0.62- sites. In the first Pt+0.62- site, Pt+0.62- is bonded in a 1-coordinate geometry to two equivalent Dy3+ and one P1+ atom. The Pt–P bond length is 2.23 Å. In the second Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to two equivalent Dy3+ and one P1+ atom. The Pt–P bond length is 2.29 Å. In the third Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to one Dy3+ and one P1+ atom. The Pt–P bond length is 2.33 Å. In the fourth Pt+0.62- site, Pt+0.62- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and two equivalent P1+ atoms. Both Pt–P bond lengths are 2.36 Å. P1+ is bonded in a 5-coordinate geometry to five Pt+0.62- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-568782

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; Dy(PPt4)2; Dy-P-Pt

OSTI Identifier:: 1274690

DOI:: https://doi.org/10.17188/1274690

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                    The Materials Project. Materials Data on Dy(PPt4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274690.

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                    The Materials Project. Materials Data on Dy(PPt4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274690

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                    The Materials Project. 2020.  
"Materials Data on Dy(PPt4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274690.  https://www.osti.gov/servlets/purl/1274690. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274690,

  title        = {Materials Data on Dy(PPt4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy(Pt4P)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Dy(Pt4P)2 sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to twelve Pt+0.62- atoms to form distorted face-sharing DyPt12 cuboctahedra. There are a spread of Dy–Pt bond distances ranging from 3.06–3.30 Å. There are four inequivalent Pt+0.62- sites. In the first Pt+0.62- site, Pt+0.62- is bonded in a 1-coordinate geometry to two equivalent Dy3+ and one P1+ atom. The Pt–P bond length is 2.23 Å. In the second Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to two equivalent Dy3+ and one P1+ atom. The Pt–P bond length is 2.29 Å. In the third Pt+0.62- site, Pt+0.62- is bonded in a distorted single-bond geometry to one Dy3+ and one P1+ atom. The Pt–P bond length is 2.33 Å. In the fourth Pt+0.62- site, Pt+0.62- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and two equivalent P1+ atoms. Both Pt–P bond lengths are 2.36 Å. P1+ is bonded in a 5-coordinate geometry to five Pt+0.62- atoms.},

  doi          = {10.17188/1274690},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274690

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