Materials Data on Pr15Si10Ni7 by Materials Project

doi:10.17188/1275109

Title: Materials Data on Pr15Si10Ni7 by Materials Project

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Abstract

Pr15Ni7Si10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 3.00 Å. There are a spread of Pr–Si bond distances ranging from 3.13–3.36 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to two equivalent Ni and three equivalent Si atoms. Both Pr–Ni bond lengths are 2.99 Å. There are two shorter (3.09 Å) and one longer (3.12 Å) Pr–Si bond lengths. In the third Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 3.02 Å. There are a spread of Pr–Si bond distances ranging from 3.13–3.32 Å. In the fourth Pr site, Pr is bonded to six Ni and six Si atoms to form a mixture of face and edge-sharing PrSi6Ni6 cuboctahedra. There are a spread of Pr–Ni bond distances ranging from 3.18–3.29 Å. There are four shorter (3.20 Å) and two longer (3.21 Å) Pr–Si bond lengths. In the fifth Pr site, Pr is bonded in a 7-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-569462

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; Pr15Si10Ni7; Ni-Pr-Si

OSTI Identifier:: 1275109

DOI:: https://doi.org/10.17188/1275109

Citation Formats


                    The Materials Project. Materials Data on Pr15Si10Ni7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275109.

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                    The Materials Project. Materials Data on Pr15Si10Ni7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275109

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                    The Materials Project. 2020.  
"Materials Data on Pr15Si10Ni7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275109.  https://www.osti.gov/servlets/purl/1275109. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1275109,

  title        = {Materials Data on Pr15Si10Ni7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr15Ni7Si10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are five inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 3.00 Å. There are a spread of Pr–Si bond distances ranging from 3.13–3.36 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to two equivalent Ni and three equivalent Si atoms. Both Pr–Ni bond lengths are 2.99 Å. There are two shorter (3.09 Å) and one longer (3.12 Å) Pr–Si bond lengths. In the third Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 3.02 Å. There are a spread of Pr–Si bond distances ranging from 3.13–3.32 Å. In the fourth Pr site, Pr is bonded to six Ni and six Si atoms to form a mixture of face and edge-sharing PrSi6Ni6 cuboctahedra. There are a spread of Pr–Ni bond distances ranging from 3.18–3.29 Å. There are four shorter (3.20 Å) and two longer (3.21 Å) Pr–Si bond lengths. In the fifth Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Si atoms. Both Pr–Ni bond lengths are 2.98 Å. There are a spread of Pr–Si bond distances ranging from 3.11–3.26 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are a spread of Ni–Si bond distances ranging from 2.34–2.37 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are a spread of Ni–Si bond distances ranging from 2.35–2.40 Å. In the third Ni site, Ni is bonded in a body-centered cubic geometry to six equivalent Pr and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.19 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Pr and one Ni atom. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Pr and two Ni atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to seven Pr and two Ni atoms.},

  doi          = {10.17188/1275109},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1275109

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