DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Li2Zn2W2O9 by Materials Project

Abstract

Li2Zn2W2O9 is Ilmenite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with three equivalent ZnO6 octahedra, edges with three equivalent LiO6 octahedra, and a faceface with one ZnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three shorter (2.13 Å) and three longer (2.28 Å) Li–O bond lengths. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There is three shorter (1.83 Å) and three longer (2.15 Å) W–O bond length. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with three equivalent LiO6 octahedra, corners with three equivalent ZnO6 octahedra, and a faceface with one LiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are three shorter (2.06 Å) and three longer (2.27 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent W6+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2W2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Li1+, one W6+, andmore » one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLi2ZnW trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-1210825
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; Li2Zn2W2O9; Li-O-W-Zn
OSTI Identifier:
1748538
DOI:
https://doi.org/10.17188/1748538

Citation Formats

The Materials Project. Materials Data on Li2Zn2W2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748538.
The Materials Project. Materials Data on Li2Zn2W2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1748538
The Materials Project. 2020. "Materials Data on Li2Zn2W2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1748538. https://www.osti.gov/servlets/purl/1748538. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748538,
title = {Materials Data on Li2Zn2W2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Zn2W2O9 is Ilmenite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with three equivalent ZnO6 octahedra, edges with three equivalent LiO6 octahedra, and a faceface with one ZnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three shorter (2.13 Å) and three longer (2.28 Å) Li–O bond lengths. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There is three shorter (1.83 Å) and three longer (2.15 Å) W–O bond length. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with three equivalent LiO6 octahedra, corners with three equivalent ZnO6 octahedra, and a faceface with one LiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–67°. There are three shorter (2.06 Å) and three longer (2.27 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent W6+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2W2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Li1+, one W6+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLi2ZnW trigonal pyramids.},
doi = {10.17188/1748538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}