Materials Data on BiF3 by Materials Project

doi:10.17188/1199408

Title: Materials Data on BiF3 by Materials Project

Dataset
Other Related Research

Abstract

BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.50 Å) and six longer (2.88 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FBi4F4 tetrahedra. All F–F bond lengths are 2.50 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Bi3+ and eight equivalent F1- atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-23301

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-F; BiF3; crystal structure

OSTI Identifier:: 1199408

DOI:: https://doi.org/10.17188/1199408

Citation Formats


                    Materials Data on BiF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199408.

Copy to clipboard


                    Materials Data on BiF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199408

Copy to clipboard


                    2020.  
"Materials Data on BiF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199408.  https://www.osti.gov/servlets/purl/1199408. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1199408,

  title        = {Materials Data on BiF3 by Materials Project},

  
  abstractNote = {BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.50 Å) and six longer (2.88 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FBi4F4 tetrahedra. All F–F bond lengths are 2.50 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Bi3+ and eight equivalent F1- atoms.},

  doi          = {10.17188/1199408},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1199408

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on BiF3 by Materials Project

Dataset

BiF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Bi–F bond distances ranging from 2.28–2.49 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Bi3+ atoms.
Materials Data on BiF3 by Materials Project

Dataset

BiF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.31–2.67 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Bi3+ atoms.
Materials Data on BiF3 by Materials Project

Dataset

BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are a spread of Bi–F bond distances ranging from 2.47–2.92 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to six equivalent Bi3+ and eight F1- atoms. There are a spread of F–F bond distances ranging from 2.45–2.54 Å. In the second F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to formmore »« less
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.

Similar Records