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Title: Materials Data on LiBeAsO5 by Materials Project

Abstract

LiBeAsO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent BeO4 tetrahedra and corners with three equivalent AsO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.04 Å. Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AsO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.63–1.66 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent BeO4 tetrahedra. There is one shorter (1.70 Å) and three longer (1.72 Å) As–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Be and one As atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one Be, and one As atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Be, and one As atom.more » In the fourth O site, O is bonded in a trigonal planar geometry to one Li, one Be, and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one Li atom.« less

Publication Date:
Other Number(s):
mp-1201175
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiBeAsO5; As-Be-Li-O
OSTI Identifier:
1694873
DOI:
https://doi.org/10.17188/1694873

Citation Formats

The Materials Project. Materials Data on LiBeAsO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694873.
The Materials Project. Materials Data on LiBeAsO5 by Materials Project. United States. doi:https://doi.org/10.17188/1694873
The Materials Project. 2020. "Materials Data on LiBeAsO5 by Materials Project". United States. doi:https://doi.org/10.17188/1694873. https://www.osti.gov/servlets/purl/1694873. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694873,
title = {Materials Data on LiBeAsO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBeAsO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent BeO4 tetrahedra and corners with three equivalent AsO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.04 Å. Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AsO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.63–1.66 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent BeO4 tetrahedra. There is one shorter (1.70 Å) and three longer (1.72 Å) As–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Be and one As atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one Be, and one As atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Be, and one As atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Li, one Be, and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one Li atom.},
doi = {10.17188/1694873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}