Materials Data on SbF5 by Materials Project

doi:10.17188/1320577

Title: Materials Data on SbF5 by Materials Project

Dataset
Other Related Research

Abstract

SbF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbF5 ribbons oriented in the (0, 0, 1) direction. Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.88–2.07 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mvc-3453

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; SbF5; F-Sb

OSTI Identifier:: 1320577

DOI:: https://doi.org/10.17188/1320577

Citation Formats


                    The Materials Project. Materials Data on SbF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320577.

Copy to clipboard


                    The Materials Project. Materials Data on SbF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320577

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SbF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320577.  https://www.osti.gov/servlets/purl/1320577. Pub date:Thu Apr 30 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1320577,

  title        = {Materials Data on SbF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbF5 ribbons oriented in the (0, 0, 1) direction. Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.88–2.07 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb5+ atoms.},

  doi          = {10.17188/1320577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1320577

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SbF5 (SG:63) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SbF5 by Materials Project

Dataset The Materials Project

SbF5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SbF4 cluster and one SbF6 cluster. In the SbF4 cluster, Sb5+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.57–2.01 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry tomore »« less
Materials Data on SbF5 by Materials Project

Dataset The Materials Project

SbF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two SbF5 sheets oriented in the (0, 0, 1) direction. Sb5+ is bonded to eight F1- atoms to form a mixture of distorted edge and corner-sharing SbF8 hexagonal bipyramids. There are a spread of Sb–F bond distances ranging from 1.88–2.29 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sb5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the thirdmore »« less
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.

Similar Records