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Title: Materials Data on LiZnBO3 by Materials Project

Abstract

LiZnBO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with five equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.29 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–2.08 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Zn2+, and one B3+ atom to form distorted OLi2ZnB trigonal pyramids that share corners with five equivalent OLiZn2B tetrahedra and corners with two equivalent OLi2ZnB trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Zn2+, and one B3+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one B3+ atom to formmore » distorted OLiZn2B tetrahedra that share corners with two equivalent OLiZn2B tetrahedra and corners with five equivalent OLi2ZnB trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-1222376
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; LiZnBO3; B-Li-O-Zn
OSTI Identifier:
1753469
DOI:
https://doi.org/10.17188/1753469

Citation Formats

The Materials Project. Materials Data on LiZnBO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753469.
The Materials Project. Materials Data on LiZnBO3 by Materials Project. United States. doi:https://doi.org/10.17188/1753469
The Materials Project. 2020. "Materials Data on LiZnBO3 by Materials Project". United States. doi:https://doi.org/10.17188/1753469. https://www.osti.gov/servlets/purl/1753469. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753469,
title = {Materials Data on LiZnBO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiZnBO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with five equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.29 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–2.08 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Zn2+, and one B3+ atom to form distorted OLi2ZnB trigonal pyramids that share corners with five equivalent OLiZn2B tetrahedra and corners with two equivalent OLi2ZnB trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Zn2+, and one B3+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one B3+ atom to form distorted OLiZn2B tetrahedra that share corners with two equivalent OLiZn2B tetrahedra and corners with five equivalent OLi2ZnB trigonal pyramids.},
doi = {10.17188/1753469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}