Materials Data on Th7Rh3 by Materials Project

doi:10.17188/1187550

Title: Materials Data on Th7Rh3 by Materials Project

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Abstract

Th7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Th–Rh bond lengths are 3.12 Å. In the second Th site, Th is bonded in a distorted water-like geometry to four equivalent Rh atoms. There are two shorter (2.92 Å) and two longer (3.55 Å) Th–Rh bond lengths. In the third Th site, Th is bonded in a 3-coordinate geometry to four equivalent Rh atoms. There are a spread of Th–Rh bond distances ranging from 2.87–3.62 Å. Rh is bonded in a 6-coordinate geometry to nine Th atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-1107

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; Th7Rh3; Rh-Th

OSTI Identifier:: 1187550

DOI:: https://doi.org/10.17188/1187550

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                    The Materials Project. Materials Data on Th7Rh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187550.

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                    The Materials Project. Materials Data on Th7Rh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187550

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                    The Materials Project. 2020.  
"Materials Data on Th7Rh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187550.  https://www.osti.gov/servlets/purl/1187550. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1187550,

  title        = {Materials Data on Th7Rh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Th–Rh bond lengths are 3.12 Å. In the second Th site, Th is bonded in a distorted water-like geometry to four equivalent Rh atoms. There are two shorter (2.92 Å) and two longer (3.55 Å) Th–Rh bond lengths. In the third Th site, Th is bonded in a 3-coordinate geometry to four equivalent Rh atoms. There are a spread of Th–Rh bond distances ranging from 2.87–3.62 Å. Rh is bonded in a 6-coordinate geometry to nine Th atoms.},

  doi          = {10.17188/1187550},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187550

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