Materials Data on Na by Materials Project

doi:10.17188/1708724

Title: Materials Data on Na by Materials Project

Dataset
Other Related Research

Abstract

Na crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four sodium molecules and one Na framework. In the Na framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a tetrahedral geometry to four equivalent Na atoms. All Na–Na bond lengths are 3.06 Å. In the second Na site, Na is bonded in a 1-coordinate geometry to four Na atoms. All Na–Na bond lengths are 3.43 Å.

Authors:: The Materials Project

Publication Date:: 2019-04-01

Other Number(s):: mp-1221597

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; Na; Na

OSTI Identifier:: 1708724

DOI:: https://doi.org/10.17188/1708724

Citation Formats


                    The Materials Project. Materials Data on Na by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1708724.

Copy to clipboard


                    The Materials Project. Materials Data on Na by Materials Project.  United States.  doi:https://doi.org/10.17188/1708724

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on Na by Materials Project".  United States.  doi:https://doi.org/10.17188/1708724.  https://www.osti.gov/servlets/purl/1708724. Pub date:Mon Apr 01 00:00:00 EDT 2019

Copy to clipboard


                    
@article{osti_1708724,

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

  author       = {The Materials Project},

  abstractNote = {Na crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four sodium molecules and one Na framework. In the Na framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a tetrahedral geometry to four equivalent Na atoms. All Na–Na bond lengths are 3.06 Å. In the second Na site, Na is bonded in a 1-coordinate geometry to four Na atoms. All Na–Na bond lengths are 3.43 Å.},

  doi          = {10.17188/1708724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1708724

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Na(ScI3)2 by Materials Project

Dataset The Materials Project

Na(ScI3)2 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P31c space group. The structure is three-dimensional. Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with six equivalent ScI6 octahedra and edges with three equivalent ScI6 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are three shorter (3.25 Å) and three longer (3.29 Å) Na–I bond lengths. There are two inequivalent Sc+2.50+ sites. In the first Sc+2.50+ site, Sc+2.50+ is bonded to six I1- atoms to form ScI6 octahedra that share corners with six equivalent NaI6 octahedra and faces with twomore »« less
Materials Data on Na(Sm2Se3)4 by Materials Project

Dataset The Materials Project

Na(Sm2Se3)4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Na1+ is bonded to eight Se2- atoms to form distorted NaSe8 hexagonal bipyramids that share corners with eight equivalent SmSe8 hexagonal bipyramids, edges with four equivalent SmSe8 hexagonal bipyramids, and faces with eight SmSe8 hexagonal bipyramids. There are four shorter (2.99 Å) and four longer (3.25 Å) Na–Se bond lengths. There are three inequivalent Sm+2.88+ sites. In the first Sm+2.88+ site, Sm+2.88+ is bonded to eight Se2- atoms to form distorted SmSe8 hexagonal bipyramids that share corners with two equivalent NaSe8 hexagonal bipyramids, corners with six SmSe8 hexagonalmore »« less
Materials Data on NaS by Materials Project

Dataset The Materials Project

NaS crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (2.94 Å) and four longer (2.96 Å) Na–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ andmore »« less
Materials Data on Na(FeSb3)4 by Materials Project

Dataset The Materials Project

NaFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Sb1- atoms to form NaSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All Na–Sb bond lengths are 3.41 Å. Fe+2.75+ is bonded to six equivalent Sb1- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent NaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.56 Å. Sb1- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Fe+2.75+, and two equivalent Sb1- atoms. There aremore »« less
Materials Data on Na(Nd2Se3)4 by Materials Project

Dataset The Materials Project

Na(Nd2Se3)4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Na1+ is bonded to eight Se2- atoms to form distorted NaSe8 hexagonal bipyramids that share corners with eight equivalent NdSe8 hexagonal bipyramids, edges with four equivalent NdSe8 hexagonal bipyramids, and faces with eight NdSe8 hexagonal bipyramids. There are four shorter (3.03 Å) and four longer (3.27 Å) Na–Se bond lengths. There are three inequivalent Nd+2.88+ sites. In the first Nd+2.88+ site, Nd+2.88+ is bonded to eight Se2- atoms to form distorted NdSe8 hexagonal bipyramids that share corners with two equivalent NaSe8 hexagonal bipyramids, corners with six NdSe8 hexagonalmore »« less

Similar Records