Materials Data on Na2UI6 by Materials Project

doi:10.17188/1282594

Title: Materials Data on Na2UI6 by Materials Project

Dataset
Other Related Research

Abstract

Na2UI6 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent I1- atoms. All Na–I bond lengths are 3.54 Å. U4+ is bonded in an octahedral geometry to six equivalent I1- atoms. All U–I bond lengths are 3.00 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-675122

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; Na2UI6; I-Na-U

OSTI Identifier:: 1282594

DOI:: https://doi.org/10.17188/1282594

Citation Formats


                    The Materials Project. Materials Data on Na2UI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282594.

Copy to clipboard


                    The Materials Project. Materials Data on Na2UI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282594

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Na2UI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282594.  https://www.osti.gov/servlets/purl/1282594. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1282594,

  title        = {Materials Data on Na2UI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2UI6 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent I1- atoms. All Na–I bond lengths are 3.54 Å. U4+ is bonded in an octahedral geometry to six equivalent I1- atoms. All U–I bond lengths are 3.00 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom.},

  doi          = {10.17188/1282594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1282594

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Na2UI6 by Materials Project

Dataset The Materials Project

Na2UI6 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2UI6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share edges with three equivalent NaI6 octahedra and edges with three equivalent UI6 octahedra. There are three shorter (3.26 Å) and three longer (3.27 Å) Na–I bond lengths. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share edges with six equivalent NaI6 octahedra. All U–I bond lengths are 3.03 Å. I1- ismore »« less
Materials Data on Na2UI6 by Materials Project

Dataset The Materials Project

Na2UI6 is zeta iron carbide-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with three NaI6 octahedra, corners with six UI6 octahedra, and a faceface with one NaI6 octahedra. The corner-sharing octahedra tilt angles range from 39–65°. There are a spread of Na–I bond distances ranging from 3.26–3.48 Å. In the second Na1+ site, Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with threemore »« less
Materials Data on Na2UI6 by Materials Project

Dataset The Materials Project

Na2UI6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with four NaI6 octahedra, corners with six UI6 octahedra, and a faceface with one NaI6 octahedra. The corner-sharing octahedra tilt angles range from 41–59°. There are a spread of Na–I bond distances ranging from 3.24–3.30 Å. In the second Na1+ site, Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share a cornercorner with one NaI6 octahedra, edges with threemore »« less
Materials Data on Na2UI6 by Materials Project

Dataset The Materials Project

Na2UI6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is two-dimensional and consists of two Na2UI6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with two equivalent NaI6 octahedra, edges with two equivalent NaI6 octahedra, and faces with two equivalent UI6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are two shorter (3.17 Å) and four longer (3.37 Å) Na–I bond lengths. U4+ is bonded to six I1- atoms to form UI6 octahedra that share faces with fourmore »« less
Materials Data on Na2UI6 by Materials Project

Dataset The Materials Project

Na2UI6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with three equivalent NaI6 octahedra, corners with six equivalent UI6 octahedra, and a faceface with one NaI6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are three shorter (3.25 Å) and three longer (3.28 Å) Na–I bond lengths. In the second Na1+ site, Na1+ is bonded to six I1- atoms to form NaI6 octahedra thatmore »« less

Similar Records