Materials Data on Bi2Rh3S2 by Materials Project

doi:10.17188/1315804

Title: Materials Data on Bi2Rh3S2 by Materials Project

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Abstract

Rh3Bi2S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.96 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.93 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to four Bi and two equivalent S atoms. There are a spread of Rh–Bi bond distances ranging from 2.86–3.02 Å. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six Rh and two equivalent S atoms. Both Bi–S bond lengths are 3.28 Å. In the second Bi site, Bi is bonded in a distorted hexagonal planar geometry to six Rh atoms. S is bonded in a 3-coordinate geometry to three Rhmore » and one Bi atom.« less

Publication Date:: 2020-07-15

Other Number(s):: mp-977592

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; Bi-Rh-S; Bi2Rh3S2; crystal structure

OSTI Identifier:: 1315804

DOI:: https://doi.org/10.17188/1315804

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                    Materials Data on Bi2Rh3S2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315804.

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                    Materials Data on Bi2Rh3S2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315804

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                    2020.  
"Materials Data on Bi2Rh3S2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315804.  https://www.osti.gov/servlets/purl/1315804. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1315804,

  title        = {Materials Data on Bi2Rh3S2 by Materials Project},

  
  abstractNote = {Rh3Bi2S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.96 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.93 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to four Bi and two equivalent S atoms. There are a spread of Rh–Bi bond distances ranging from 2.86–3.02 Å. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six Rh and two equivalent S atoms. Both Bi–S bond lengths are 3.28 Å. In the second Bi site, Bi is bonded in a distorted hexagonal planar geometry to six Rh atoms. S is bonded in a 3-coordinate geometry to three Rh and one Bi atom.},

  doi          = {10.17188/1315804},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315804

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