Materials Data on ThRh2 by Materials Project

doi:10.17188/1274374

Title: Materials Data on ThRh2 by Materials Project

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Abstract

ThRh2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 11-coordinate geometry to eleven Rh atoms. There are a spread of Th–Rh bond distances ranging from 2.74–3.12 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to five equivalent Th and six equivalent Rh atoms to form a mixture of face and corner-sharing RhTh5Rh6 trigonal bipyramids. All Rh–Rh bond lengths are 3.12 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent Th and eight Rh atoms. Both Rh–Rh bond lengths are 2.98 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-568337

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Rh-Th; ThRh2; crystal structure

OSTI Identifier:: 1274374

DOI:: https://doi.org/10.17188/1274374

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                    Materials Data on ThRh2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274374.

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                    Materials Data on ThRh2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274374

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                    2020.  
"Materials Data on ThRh2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274374.  https://www.osti.gov/servlets/purl/1274374. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274374,

  title        = {Materials Data on ThRh2 by Materials Project},

  
  abstractNote = {ThRh2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 11-coordinate geometry to eleven Rh atoms. There are a spread of Th–Rh bond distances ranging from 2.74–3.12 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to five equivalent Th and six equivalent Rh atoms to form a mixture of face and corner-sharing RhTh5Rh6 trigonal bipyramids. All Rh–Rh bond lengths are 3.12 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent Th and eight Rh atoms. Both Rh–Rh bond lengths are 2.98 Å.},

  doi          = {10.17188/1274374},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274374

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