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Title: Materials Data on Sr2Sc2B4O11 by Materials Project

Abstract

Sr2Sc2B4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.11 Å. Sc3+ is bonded to six O2- atoms to form edge-sharing ScO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.04–2.19 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two equivalent Sc3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Sc3+, and one B3+ atom. In the fourth O2- site, O2-more » is bonded in a linear geometry to two equivalent Sr2+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556123
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; Sr2Sc2B4O11; B-O-Sc-Sr
OSTI Identifier:
1269184
DOI:
10.17188/1269184

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2Sc2B4O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269184.
Persson, Kristin, & Project, Materials. Materials Data on Sr2Sc2B4O11 by Materials Project. United States. doi:10.17188/1269184.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr2Sc2B4O11 by Materials Project". United States. doi:10.17188/1269184. https://www.osti.gov/servlets/purl/1269184. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269184,
title = {Materials Data on Sr2Sc2B4O11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2Sc2B4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.11 Å. Sc3+ is bonded to six O2- atoms to form edge-sharing ScO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.04–2.19 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two equivalent Sc3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Sc3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom.},
doi = {10.17188/1269184},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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