Materials Data on Zn10Fe(B4Rh9)2 by Materials Project

doi:10.17188/1281126

Title: Materials Data on Zn10Fe(B4Rh9)2 by Materials Project

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Abstract

FeZn10(Rh9B4)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.56 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Zn and four B atoms. There are two shorter (2.69 Å) and two longer (2.84 Å) Rh–Zn bond lengths. There are two shorter (2.19 Å) and two longer (2.24 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.60–2.88 Å. Both Rh–B bond lengths are 2.12 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are two shorter (2.59 Å) and four longer (2.74 Å) Rh–Zn bond lengths. Both Rh–B bond lengths are 2.11 Å. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Fe, four equivalent Zn, and two equivalent B atoms. There are two shorter (2.79 Å) and two longer (2.86 Å)more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-652101

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; Zn10Fe(B4Rh9)2; B-Fe-Rh-Zn

OSTI Identifier:: 1281126

DOI:: https://doi.org/10.17188/1281126

Citation Formats


                    The Materials Project. Materials Data on Zn10Fe(B4Rh9)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281126.

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                    The Materials Project. Materials Data on Zn10Fe(B4Rh9)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281126

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                    The Materials Project. 2020.  
"Materials Data on Zn10Fe(B4Rh9)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281126.  https://www.osti.gov/servlets/purl/1281126. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1281126,

  title        = {Materials Data on Zn10Fe(B4Rh9)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeZn10(Rh9B4)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.56 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Zn and four B atoms. There are two shorter (2.69 Å) and two longer (2.84 Å) Rh–Zn bond lengths. There are two shorter (2.19 Å) and two longer (2.24 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.60–2.88 Å. Both Rh–B bond lengths are 2.12 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are two shorter (2.59 Å) and four longer (2.74 Å) Rh–Zn bond lengths. Both Rh–B bond lengths are 2.11 Å. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Fe, four equivalent Zn, and two equivalent B atoms. There are two shorter (2.79 Å) and two longer (2.86 Å) Rh–Zn bond lengths. Both Rh–B bond lengths are 2.15 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.83 Å. All Rh–B bond lengths are 2.22 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to eight Rh atoms. In the second Zn site, Zn is bonded in a 11-coordinate geometry to ten Rh and one B atom. The Zn–B bond length is 2.66 Å. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight Rh atoms. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to eight Rh, one Zn, and two equivalent B atoms. The Zn–Zn bond length is 2.54 Å. Both Zn–B bond lengths are 2.62 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Rh and one Zn atom. In the second B site, B is bonded in a 7-coordinate geometry to six Rh and one Zn atom.},

  doi          = {10.17188/1281126},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281126

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