Materials Data on Bi8Rh8O27 by Materials Project

doi:10.17188/1296821

Title: Materials Data on Bi8Rh8O27 by Materials Project

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Abstract

Rh8Bi8O27 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Rh+3.75+ sites. In the first Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six RhO6 octahedra and edges with four BiO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Rh–O bond distances ranging from 2.01–2.05 Å. In the second Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six RhO6 octahedra and edges with six equivalent BiO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are three shorter (2.00 Å) and three longer (2.06 Å) Rh–O bond lengths. In the third Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six RhO6 octahedra and edges with two equivalent BiO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Rh–O bond distances ranging from 2.01–2.05 Å. In the fourth Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are threemore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-766286

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; Bi8Rh8O27; Bi-O-Rh

OSTI Identifier:: 1296821

DOI:: https://doi.org/10.17188/1296821

Citation Formats


                    The Materials Project. Materials Data on Bi8Rh8O27 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1296821.

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                    The Materials Project. Materials Data on Bi8Rh8O27 by Materials Project.  United States.  doi:https://doi.org/10.17188/1296821

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                    The Materials Project. 2020.  
"Materials Data on Bi8Rh8O27 by Materials Project".  United States.  doi:https://doi.org/10.17188/1296821.  https://www.osti.gov/servlets/purl/1296821. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1296821,

  title        = {Materials Data on Bi8Rh8O27 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh8Bi8O27 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Rh+3.75+ sites. In the first Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six RhO6 octahedra and edges with four BiO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Rh–O bond distances ranging from 2.01–2.05 Å. In the second Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six RhO6 octahedra and edges with six equivalent BiO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are three shorter (2.00 Å) and three longer (2.06 Å) Rh–O bond lengths. In the third Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six RhO6 octahedra and edges with two equivalent BiO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Rh–O bond distances ranging from 2.01–2.05 Å. In the fourth Rh+3.75+ site, Rh+3.75+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.02 Å) and three longer (2.03 Å) Rh–O bond lengths. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to seven O2- atoms to form distorted BiO7 hexagonal pyramids that share corners with three equivalent BiO7 hexagonal pyramids and edges with six equivalent RhO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.15–2.52 Å. In the second Bi3+ site, Bi3+ is bonded to seven O2- atoms to form distorted BiO7 hexagonal pyramids that share corners with three BiO7 hexagonal pyramids, edges with two equivalent BiO7 hexagonal pyramids, and edges with six RhO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.25–2.53 Å. In the third Bi3+ site, Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.53 Å. In the fourth Bi3+ site, Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.54 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to two Rh+3.75+ and two equivalent Bi3+ atoms to form distorted OBi2Rh2 tetrahedra that share corners with seven OBi2Rh2 tetrahedra and an edgeedge with one OBi4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rh+3.75+ and two Bi3+ atoms. In the third O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share a cornercorner with one OBi4 tetrahedra and edges with six OBi2Rh2 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rh+3.75+ and two Bi3+ atoms. In the sixth O2- site, O2- is bonded to two Rh+3.75+ and two equivalent Bi3+ atoms to form distorted OBi2Rh2 tetrahedra that share corners with seven OBi2Rh2 tetrahedra and an edgeedge with one OBi4 tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Rh+3.75+ and two equivalent Bi3+ atoms. In the eighth O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share corners with seven OBi4 tetrahedra and edges with three equivalent OBi2Rh2 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rh+3.75+ and two Bi3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Rh+3.75+ and two Bi3+ atoms to form distorted OBi2Rh2 tetrahedra that share corners with seven OBi2Rh2 tetrahedra and an edgeedge with one OBi4 tetrahedra. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Rh+3.75+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1296821},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1296821

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