Materials Data on B by Materials Project

doi:10.17188/1191505

Title: Materials Data on B by Materials Project

Dataset
Other Related Research

Abstract

B is alpha boron structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.67–1.80 Å. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There is two shorter (1.78 Å) and two longer (2.01 Å) B–B bond length.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-160

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; B; B

OSTI Identifier:: 1191505

DOI:: https://doi.org/10.17188/1191505

Citation Formats


                    The Materials Project. Materials Data on B by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191505.

Copy to clipboard


                    The Materials Project. Materials Data on B by Materials Project.  United States.  doi:https://doi.org/10.17188/1191505

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on B by Materials Project".  United States.  doi:https://doi.org/10.17188/1191505.  https://www.osti.gov/servlets/purl/1191505. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1191505,

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

  author       = {The Materials Project},

  abstractNote = {B is alpha boron structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.67–1.80 Å. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There is two shorter (1.78 Å) and two longer (2.01 Å) B–B bond length.},

  doi          = {10.17188/1191505},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1191505

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on B(HO)3 by Materials Project

Dataset The Materials Project

H3BO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two H3BO3 sheets oriented in the (1, 0, 0) direction. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to twomore »« less
Materials Data on B by Materials Project

Dataset The Materials Project

B is T-50 Boron structured and crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are five inequivalent B sites. In the first B site, B is bonded in a distorted trigonal pyramidal geometry to four equivalent B atoms. All B–B bond lengths are 1.70 Å. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.72–1.83 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bondmore »« less
Materials Data on B by Materials Project

Dataset The Materials Project

B is beta Boron structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are fifteen inequivalent B sites. In the first B site, B is bonded in a distorted hexagonal planar geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.77 Å. In the second B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging from 1.76–1.88 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are amore »« less
Materials Data on B by Materials Project

Dataset The Materials Project

B crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.65–2.04 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.70–1.75 Å. In the third B site, B is bonded in a 8-coordinate geometry to eight B atoms. There are a spread of B–B bond distances ranging frommore »« less
Materials Data on B(HO)3 by Materials Project

Dataset The Materials Project

H3BO3 is alpha Selenium structured and crystallizes in the trigonal P3_2 space group. The structure is zero-dimensional and consists of three H3BO3 clusters. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms.more »« less

Similar Records