Materials Data on Pr8Sb14Rh17 by Materials Project

doi:10.17188/1727039

Title: Materials Data on Pr8Sb14Rh17 by Materials Project

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Abstract

Pr8Rh17Sb14 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to nine Rh and six Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.11–3.72 Å. There are a spread of Pr–Sb bond distances ranging from 3.29–3.37 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to nine Rh and eight Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.46–3.67 Å. There are four shorter (3.38 Å) and four longer (3.48 Å) Pr–Sb bond lengths. In the third Pr site, Pr is bonded in a 4-coordinate geometry to ten Rh and six Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.18–3.69 Å. There are four shorter (3.39 Å) and two longer (3.40 Å) Pr–Sb bond lengths. In the fourth Pr site, Pr is bonded in a 1-coordinate geometry to eight Rh and seven Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.17–3.65 Å. There are a spread of Pr–Sb bond distances ranging from 3.26–3.81 Å. There are seven inequivalent Rh sites.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1211805

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; Pr8Sb14Rh17; Pr-Rh-Sb

OSTI Identifier:: 1727039

DOI:: https://doi.org/10.17188/1727039

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                    The Materials Project. Materials Data on Pr8Sb14Rh17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727039.

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                    The Materials Project. Materials Data on Pr8Sb14Rh17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727039

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                    The Materials Project. 2020.  
"Materials Data on Pr8Sb14Rh17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727039.  https://www.osti.gov/servlets/purl/1727039. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1727039,

  title        = {Materials Data on Pr8Sb14Rh17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr8Rh17Sb14 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to nine Rh and six Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.11–3.72 Å. There are a spread of Pr–Sb bond distances ranging from 3.29–3.37 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to nine Rh and eight Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.46–3.67 Å. There are four shorter (3.38 Å) and four longer (3.48 Å) Pr–Sb bond lengths. In the third Pr site, Pr is bonded in a 4-coordinate geometry to ten Rh and six Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.18–3.69 Å. There are four shorter (3.39 Å) and two longer (3.40 Å) Pr–Sb bond lengths. In the fourth Pr site, Pr is bonded in a 1-coordinate geometry to eight Rh and seven Sb atoms. There are a spread of Pr–Rh bond distances ranging from 3.17–3.65 Å. There are a spread of Pr–Sb bond distances ranging from 3.26–3.81 Å. There are seven inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four Pr and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.61–2.68 Å. In the second Rh site, Rh is bonded in a 11-coordinate geometry to four Pr, three Rh, and four Sb atoms. There are two shorter (2.90 Å) and one longer (2.91 Å) Rh–Rh bond lengths. There are two shorter (2.69 Å) and two longer (2.71 Å) Rh–Sb bond lengths. In the third Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Pr, one Rh, and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.55–2.67 Å. In the fourth Rh site, Rh is bonded to four Pr and four Sb atoms to form a mixture of distorted face and edge-sharing RhPr4Sb4 tetrahedra. There are three shorter (2.63 Å) and one longer (2.69 Å) Rh–Sb bond lengths. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Pr and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.63–2.66 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to four Pr, one Rh, and four Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.59–2.69 Å. In the seventh Rh site, Rh is bonded in a 10-coordinate geometry to five Pr and five Sb atoms. There are four shorter (2.68 Å) and one longer (2.77 Å) Rh–Sb bond lengths. There are six inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to four Pr and five Rh atoms. In the second Sb site, Sb is bonded in a 8-coordinate geometry to four Pr and five Rh atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Pr and five Rh atoms. In the fourth Sb site, Sb is bonded in a 7-coordinate geometry to three Pr, five Rh, and one Sb atom. The Sb–Sb bond length is 3.11 Å. In the fifth Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Pr and four Rh atoms. In the sixth Sb site, Sb is bonded in a 9-coordinate geometry to four equivalent Pr and five Rh atoms.},

  doi          = {10.17188/1727039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1727039

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