Materials Data on LiZr2O4 by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1301108· OSTI ID:1301108

The Materials Project

LiZr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with twelve equivalent ZrO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li–O bond lengths are 2.17 Å. Zr+3.50+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent ZrO6 octahedra. All Zr–O bond lengths are 2.17 Å. O2- is bonded to one Li1+ and three equivalent Zr+3.50+ atoms to form a mixture of distorted edge and corner-sharing OLiZr3 trigonal pyramids.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1301108
• Report Number(s): mp-772214
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
LiZr2O4
Li-O-Zr