Materials Data on HoB4Rh7 by Materials Project

doi:10.17188/1711974

Title: Materials Data on HoB4Rh7 by Materials Project

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Abstract

HoRh7B4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve Rh, and six B atoms. Both Ho–Ho bond lengths are 2.92 Å. There are a spread of Ho–Rh bond distances ranging from 3.12–3.17 Å. All Ho–B bond lengths are 3.21 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a square co-planar geometry to four equivalent Rh and four equivalent B atoms. There are two shorter (3.11 Å) and two longer (3.16 Å) Rh–Rh bond lengths. All Rh–B bond lengths are 2.16 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Ho, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.15 Å. There are two shorter (2.16 Å) and two longer (2.17 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Ho, two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1223938

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; HoB4Rh7; B-Ho-Rh

OSTI Identifier:: 1711974

DOI:: https://doi.org/10.17188/1711974

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                    The Materials Project. Materials Data on HoB4Rh7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1711974.

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                    The Materials Project. Materials Data on HoB4Rh7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711974

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                    The Materials Project. 2019.  
"Materials Data on HoB4Rh7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711974.  https://www.osti.gov/servlets/purl/1711974. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1711974,

  title        = {Materials Data on HoB4Rh7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoRh7B4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve Rh, and six B atoms. Both Ho–Ho bond lengths are 2.92 Å. There are a spread of Ho–Rh bond distances ranging from 3.12–3.17 Å. All Ho–B bond lengths are 3.21 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a square co-planar geometry to four equivalent Rh and four equivalent B atoms. There are two shorter (3.11 Å) and two longer (3.16 Å) Rh–Rh bond lengths. All Rh–B bond lengths are 2.16 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Ho, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.15 Å. There are two shorter (2.16 Å) and two longer (2.17 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Ho, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.10 Å. There are two shorter (2.16 Å) and two longer (2.17 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 2-coordinate geometry to fourteen Rh atoms. Both Rh–Rh bond lengths are 2.92 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Ho and six Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Ho and six Rh atoms.},

  doi          = {10.17188/1711974},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1711974

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