Materials Data on H25C8IN2(OF2)2 by Materials Project

doi:10.17188/1711242

Title: Materials Data on H25C8IN2(OF2)2 by Materials Project

Dataset
Other Related Research

Abstract

(N(CH3)4)2HF2I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules, eight tetramethylammonium molecules, and four I(OF)2 clusters. In each I(OF)2 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. Both I–F bond lengths are 2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I1- atom.

Publication Date:: 2020-04-28

Other Number(s):: mp-1199286

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; C-F-H-I-N-O; crystal structure; H25C8IN2(OF2)2

OSTI Identifier:: 1711242

DOI:: https://doi.org/10.17188/1711242

Citation Formats


                    Materials Data on H25C8IN2(OF2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711242.

Copy to clipboard


                    Materials Data on H25C8IN2(OF2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711242

Copy to clipboard


                    2020.  
"Materials Data on H25C8IN2(OF2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711242.  https://www.osti.gov/servlets/purl/1711242. Pub date:Tue Apr 28 20:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1711242,

  title        = {Materials Data on H25C8IN2(OF2)2 by Materials Project},

  
  abstractNote = {(N(CH3)4)2HF2I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules, eight tetramethylammonium molecules, and four I(OF)2 clusters. In each I(OF)2 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. Both I–F bond lengths are 2.08 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I1- atom.},

  doi          = {10.17188/1711242},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1711242

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mn3(OF2)2 by Materials Project

Dataset

Mn3(OF2)2 is zeta iron carbide-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to two O2- and four F1- atoms to form MnO2F4 octahedra that share corners with eight MnO3F3 octahedra and edges with two MnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There is one shorter (1.89 Å) and one longer (1.92 Å) Mn–O bond length. There are a spread of Mn–F bond distances ranging from 2.05–2.26 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to threemore »« less
Materials Data on KNaMo(OF2)2 by Materials Project

Dataset

KNaMo(OF2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded to four equivalent O2- and eight equivalent F1- atoms to form KO4F8 cuboctahedra that share corners with four equivalent KO4F8 cuboctahedra, faces with four equivalent KO4F8 cuboctahedra, faces with four equivalent NaO2F4 octahedra, and faces with four equivalent MoO2F4 octahedra. All K–O bond lengths are 3.05 Å. All K–F bond lengths are 2.95 Å. Na1+ is bonded to two O2- and four equivalent F1- atoms to form NaO2F4 octahedra that share corners with six equivalent MoO2F4 octahedra and faces with four equivalent KO4F8 cuboctahedra. Themore »« less
Materials Data on K2NaNb(OF2)2 by Materials Project

Dataset

K2NaNbO2F4 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four O2- and eight F1- atoms to form KO4F8 cuboctahedra that share corners with twelve KO4F8 cuboctahedra, faces with six KO4F8 cuboctahedra, faces with four NaO2F4 octahedra, and faces with four NbO2F4 octahedra. There are a spread of K–O bond distances ranging from 3.02–3.09 Å. There are a spread of K–F bond distances ranging from 3.01–3.08 Å. In the second K1+ site, K1+ is bonded to four O2-more »« less
Materials Data on Mn3(OF2)2 by Materials Project

Dataset

Mn3(OF2)2 is zeta iron carbide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four equivalent F1- atoms to form MnO2F4 octahedra that share corners with eight equivalent MnO3F3 octahedra and edges with two equivalent MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. Both Mn–O bond lengths are 1.97 Å. All Mn–F bond lengths are 2.09 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to one O2- and five F1- atoms to form MnOF5more »« less
Materials Data on Mn3(OF2)2 by Materials Project

Dataset

Mn3(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four F1- atoms to form a mixture of edge and corner-sharing MnO2F4 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. Both Mn–O bond lengths are 1.98 Å. There are a spread of Mn–F bond distances ranging from 2.11–2.22 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to two equivalent O2- and four equivalent F1- atoms to form a mixture of edge and corner-sharingmore »« less

Similar Records