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Title: Materials Data on Sr2Be2B2O7 by Materials Project

Abstract

Sr2Be2B2O7 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent BeO4 tetrahedra. All Sr–O bond lengths are 2.53 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (2.79 Å) Sr–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent SrO6 pentagonal pyramids and a cornercorner with one BeO4 tetrahedra. There is one shorter (1.58 Å) and three longer (1.66 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Sr2+ and two equivalent Be2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556498
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; Sr2Be2B2O7; B-Be-O-Sr
OSTI Identifier:
1269380
DOI:
10.17188/1269380

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2Be2B2O7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1269380.
Persson, Kristin, & Project, Materials. Materials Data on Sr2Be2B2O7 by Materials Project. United States. doi:10.17188/1269380.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Sr2Be2B2O7 by Materials Project". United States. doi:10.17188/1269380. https://www.osti.gov/servlets/purl/1269380. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1269380,
title = {Materials Data on Sr2Be2B2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2Be2B2O7 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent BeO4 tetrahedra. All Sr–O bond lengths are 2.53 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (2.79 Å) Sr–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent SrO6 pentagonal pyramids and a cornercorner with one BeO4 tetrahedra. There is one shorter (1.58 Å) and three longer (1.66 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Sr2+ and two equivalent Be2+ atoms.},
doi = {10.17188/1269380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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