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Title: Materials Data on Sr2LuBiO6 by Materials Project

Abstract

BiLuSr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.98 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. All Lu–O bond lengths are 2.20 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. All Bi–O bond lengths are 2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Bi5+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one Lu3+, and one Bi5+ atom to form distorted corner-sharing OSr2LuBi tetrahedra.

Publication Date:
Other Number(s):
mp-23100
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; Sr2LuBiO6; Bi-Lu-O-Sr
OSTI Identifier:
1199237
DOI:
https://doi.org/10.17188/1199237

Citation Formats

The Materials Project. Materials Data on Sr2LuBiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199237.
The Materials Project. Materials Data on Sr2LuBiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1199237
The Materials Project. 2020. "Materials Data on Sr2LuBiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1199237. https://www.osti.gov/servlets/purl/1199237. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199237,
title = {Materials Data on Sr2LuBiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {BiLuSr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.98 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. All Lu–O bond lengths are 2.20 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°. All Bi–O bond lengths are 2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Bi5+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one Lu3+, and one Bi5+ atom to form distorted corner-sharing OSr2LuBi tetrahedra.},
doi = {10.17188/1199237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}