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Title: Materials Data on Sr3Sc(BO3)3 by Materials Project

Abstract

Sr3Sc(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.16 Å. In the second Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.10 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Sc3+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-17562
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; Sr3Sc(BO3)3; B-O-Sc-Sr
OSTI Identifier:
1192571
DOI:
https://doi.org/10.17188/1192571

Citation Formats

The Materials Project. Materials Data on Sr3Sc(BO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192571.
The Materials Project. Materials Data on Sr3Sc(BO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1192571
The Materials Project. 2020. "Materials Data on Sr3Sc(BO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1192571. https://www.osti.gov/servlets/purl/1192571. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192571,
title = {Materials Data on Sr3Sc(BO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Sc(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.16 Å. In the second Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.10 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Sc3+, and one B3+ atom.},
doi = {10.17188/1192571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}