Materials Data on CrB by Materials Project

doi:10.17188/1749400

Title: Materials Data on CrB by Materials Project

Dataset
Other Related Research

Abstract

CrB is delta Molybdenum Boride structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of Cr–B bond distances ranging from 2.15–2.28 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent Cr3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.77 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1080664

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; CrB; B-Cr

OSTI Identifier:: 1749400

DOI:: https://doi.org/10.17188/1749400

Citation Formats


                    The Materials Project. Materials Data on CrB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749400.

Copy to clipboard


                    The Materials Project. Materials Data on CrB by Materials Project.  United States.  doi:https://doi.org/10.17188/1749400

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CrB by Materials Project".  United States.  doi:https://doi.org/10.17188/1749400.  https://www.osti.gov/servlets/purl/1749400. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1749400,

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

  author       = {The Materials Project},

  abstractNote = {CrB is delta Molybdenum Boride structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of Cr–B bond distances ranging from 2.15–2.28 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent Cr3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.77 Å.},

  doi          = {10.17188/1749400},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1749400

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CrB by Materials Project

Dataset The Materials Project

CrB crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of Cr–B bond distances ranging from 2.16–2.28 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent Cr3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.77 Å.
Materials Data on Al(CrB)2 by Materials Project

Dataset The Materials Project

AlCr2B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to six equivalent B atoms. There are four shorter (2.17 Å) and two longer (2.19 Å) Cr–B bond lengths. Al is bonded in a distorted linear geometry to two equivalent B atoms. Both Al–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to six equivalent Cr, one Al, and two equivalent B atoms. Both B–B bond lengths are 1.76 Å.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.
Materials Data on Sr2H5Rh by Materials Project

Dataset The Materials Project

Sr2RhH5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a distorted q6 geometry to ten H atoms. There are a spread of Sr–H bond distances ranging from 2.68–2.75 Å. Rh is bonded in a square pyramidal geometry to five H atoms. There is four shorter (1.69 Å) and one longer (1.80 Å) Rh–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr and one Rh atom to form a mixture of corner, edge, and face-sharing HSr4Rh square pyramids. In the second Hmore »« less

Similar Records