Materials Data on BRh by Materials Project

doi:10.17188/1665555

Title: Materials Data on BRh by Materials Project

Dataset
Other Related Research

Abstract

RhB is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent B3- atoms to form a mixture of corner, edge, and face-sharing RhB6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Rh–B bond lengths are 2.21 Å. B3- is bonded to six equivalent Rh3+ atoms to form a mixture of distorted corner and edge-sharing BRh6 pentagonal pyramids.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-1063752

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; B-Rh; BRh; crystal structure

OSTI Identifier:: 1665555

DOI:: https://doi.org/10.17188/1665555

Citation Formats


                    Materials Data on BRh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665555.

Copy to clipboard


                    Materials Data on BRh by Materials Project.  United States.  doi:https://doi.org/10.17188/1665555

Copy to clipboard


                    2020.  
"Materials Data on BRh by Materials Project".  United States.  doi:https://doi.org/10.17188/1665555.  https://www.osti.gov/servlets/purl/1665555. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1665555,

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

  
  abstractNote = {RhB is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent B3- atoms to form a mixture of corner, edge, and face-sharing RhB6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Rh–B bond lengths are 2.21 Å. B3- is bonded to six equivalent Rh3+ atoms to form a mixture of distorted corner and edge-sharing BRh6 pentagonal pyramids.},

  doi          = {10.17188/1665555},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1665555

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on BRh by Materials Project

Dataset

RhB crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Rh–B bond lengths are 2.21 Å. B3- is bonded in a distorted body-centered cubic geometry to six equivalent Rh3+ and two equivalent B3- atoms. Both B–B bond lengths are 2.10 Å.
Materials Data on Sr(BRh)2 by Materials Project

Dataset

Sr(RhB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Sr is bonded in a 10-coordinate geometry to eight equivalent Rh and six equivalent B atoms. There are four shorter (3.09 Å) and four longer (3.34 Å) Sr–Rh bond lengths. There are two shorter (3.11 Å) and four longer (3.17 Å) Sr–B bond lengths. Rh is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent B atoms. There are two shorter (2.12 Å) and two longer (2.15 Å) Rh–B bond lengths. B is bonded in a 4-coordinate geometry to threemore »« less
Materials Data on Ba(BRh)2 by Materials Project

Dataset

Ba(RhB)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent B atoms. All Ba–Rh bond lengths are 3.49 Å. All Ba–B bond lengths are 3.50 Å. Rh is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent B atoms. All Rh–B bond lengths are 2.12 Å. B is bonded in a 4-coordinate geometry to four equivalent Ba and four equivalent Rh atoms.
Materials Data on Er(BRh)4 by Materials Project

Dataset

ErRh4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are a spread of Er–Rh bond distances ranging from 2.91–3.26 Å. There are a spread of Er–B bond distances ranging from 2.96–3.26 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Er and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.18–2.27 Å. B is bonded in a 6-coordinate geometry to three equivalent Er, five equivalent Rh, and one B atom. The B–Bmore » bond length is 1.75 Å.« less
Materials Data on Lu(BRh)4 by Materials Project

Dataset

Lu(RhB)4 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.95–3.19 Å. There are a spread of Lu–B bond distances ranging from 2.97–3.18 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.88–3.25 Å. There are a spread of Lu–B bond distancesmore »« less

Similar Records