Materials Data on Li by Materials Project

doi:10.17188/1350235

Title: Materials Data on Li by Materials Project

Dataset
Other Related Research

Abstract

Li is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the second Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. All Li–Li bond lengths are 3.06 Å. In the third Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fourth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fifth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.06 Å) Li–Li bondmore » lengths.« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-1018134

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; Li; Li

OSTI Identifier:: 1350235

DOI:: https://doi.org/10.17188/1350235

Citation Formats


                    The Materials Project. Materials Data on Li by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350235.

Copy to clipboard


                    The Materials Project. Materials Data on Li by Materials Project.  United States.  doi:https://doi.org/10.17188/1350235

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Li by Materials Project".  United States.  doi:https://doi.org/10.17188/1350235.  https://www.osti.gov/servlets/purl/1350235. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1350235,

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

  author       = {The Materials Project},

  abstractNote = {Li is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the second Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. All Li–Li bond lengths are 3.06 Å. In the third Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fourth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fifth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths.},

  doi          = {10.17188/1350235},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350235

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Li(CoGe)6 by Materials Project

Dataset The Materials Project

Li(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to twelve equivalent Co and eight Ge atoms. All Li–Co bond lengths are 3.17 Å. There are two shorter (2.54 Å) and six longer (2.92 Å) Li–Ge bond lengths. Co is bonded to two equivalent Li, four equivalent Co, and six Ge atoms to form a mixture of distorted face, edge, and corner-sharing CoLi2Co4Ge6 cuboctahedra. All Co–Co bond lengths are 2.53 Å. There are four shorter (2.41 Å) and two longer (2.60 Å) Co–Ge bond lengths. There are three inequivalent Gemore »« less
Materials Data on Li(TiS2)3 by Materials Project

Dataset The Materials Project

LiTi2S4TiS2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one LiTi2S4 sheet oriented in the (0, 0, 1) direction and one TiS2 sheet oriented in the (0, 0, 1) direction. In the LiTi2S4 sheet, Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent TiS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent TiS6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Li–S bond lengths are 2.56 Å. Ti+3.67+ is bonded to six S2- atoms to form TiS6 octahedra that sharemore »« less
Materials Data on Li(NiO2)2 by Materials Project

Dataset The Materials Project

LiNi2O4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three nickel dihydroxide molecules and one Li2NiO2 cluster. In the Li2NiO2 cluster, Li1+ is bonded in a 1-coordinate geometry to one O2- atom. The Li–O bond length is 1.42 Å. Ni+3.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.44 Å. O2- is bonded in a distorted L-shaped geometry to one Li1+ and one Ni+3.50+ atom.
Materials Data on Li(PrGe3)2 by Materials Project

Dataset The Materials Project

LiPr2Ge6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight Ge atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Li–Ge bond lengths. Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.08–3.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site,more »« less
Materials Data on LiS by Materials Project

Dataset The Materials Project

LiS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S1- atoms to form a mixture of edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.51 Å. S1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing SLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Similar Records