Materials Data on Sb(IF3)2 by Materials Project

doi:10.17188/1202543

Title: Materials Data on Sb(IF3)2 by Materials Project

Dataset
Other Related Research

Abstract

SbIF6I is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two SbIF6 clusters. In each SbIF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. I is bonded in a 1-coordinate geometry to one F atom. The I–F bond length is 2.67 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb and one I atom.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-28431

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; Sb(IF3)2; F-I-Sb

OSTI Identifier:: 1202543

DOI:: https://doi.org/10.17188/1202543

Citation Formats


                    The Materials Project. Materials Data on Sb(IF3)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1202543.

Copy to clipboard


                    The Materials Project. Materials Data on Sb(IF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202543

Copy to clipboard


                    The Materials Project. 2017.  
"Materials Data on Sb(IF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202543.  https://www.osti.gov/servlets/purl/1202543. Pub date:Wed May 10 00:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1202543,

  title        = {Materials Data on Sb(IF3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbIF6I is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydriodic acid molecules and two SbIF6 clusters. In each SbIF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. I is bonded in a 1-coordinate geometry to one F atom. The I–F bond length is 2.67 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb and one I atom.},

  doi          = {10.17188/1202543},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1202543

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on As(IF3)2 by Materials Project

Dataset The Materials Project

F(AsF3)(IF1)2 is Cubane-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight iodine monofluoride molecules and four F(AsF3) clusters. In each F(AsF3) cluster, As2+ is bonded in a trigonal pyramidal geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- ismore »« less
Materials Data on As(IF3)2 by Materials Project

Dataset The Materials Project

As(IF3)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four As(IF3)2 clusters. As2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. I2+ is bonded in a single-bond geometry to one F1- atom. The I–F bond length is 2.74 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ and one I2+ atom.more »« less
Materials Data on AsS(IF3)2 by Materials Project

Dataset The Materials Project

AsS(IF3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent As2- sites. In the first As2- site, As2- is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.77 Å) and four longer (1.78 Å) As–F bond length. In the second As2- site, As2- is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.79 Å) As–F bond length. S2- is bonded in a 5-coordinate geometry to one S2-, two I5+, and three F1- atoms. The S–S bond length is 1.86more »« less
Materials Data on CsPPb(IF3)2 by Materials Project

Dataset The Materials Project

CsPbP(IF3)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to eight F1- atoms to form CsF8 hexagonal bipyramids that share edges with four equivalent CsF8 hexagonal bipyramids and edges with four equivalent PF6 octahedra. All Cs–F bond lengths are 3.49 Å. Pb2+ is bonded to four equivalent I1- and two equivalent F1- atoms to form distorted PbI4F2 octahedra that share corners with two equivalent PF6 octahedra and corners with four equivalent PbI4F2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–I bond lengths are 3.15 Å. Both Pb–F bond lengths are 2.65 Å.more »« less
Materials Data on As(IF3)2 by Materials Project

Dataset The Materials Project

AsF6(I)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight hydriodic acid molecules and four AsF6 clusters. In each AsF6 cluster, As2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.80 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometrymore »« less

Similar Records