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Title: Materials Data on SrBe2(BO3)2 by Materials Project

Abstract

SrBe2(BO3)2 crystallizes in the monoclinic P2_1/c 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 2.50–3.03 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.69 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form edge-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.70 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 1.37–1.40 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 1.37–1.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded inmore » a trigonal planar geometry to one Sr2+, two equivalent Be2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, two equivalent Be2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, one Be2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+, one Be2+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+, one Be2+, and one B3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558981
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; SrBe2(BO3)2; B-Be-O-Sr
OSTI Identifier:
1270590
DOI:
10.17188/1270590

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrBe2(BO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270590.
Persson, Kristin, & Project, Materials. Materials Data on SrBe2(BO3)2 by Materials Project. United States. doi:10.17188/1270590.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrBe2(BO3)2 by Materials Project". United States. doi:10.17188/1270590. https://www.osti.gov/servlets/purl/1270590. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270590,
title = {Materials Data on SrBe2(BO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrBe2(BO3)2 crystallizes in the monoclinic P2_1/c 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 2.50–3.03 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.69 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form edge-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.70 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 1.37–1.40 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 1.37–1.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Sr2+, two equivalent Be2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, two equivalent Be2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, one Be2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+, one Be2+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+, one Be2+, and one B3+ atom.},
doi = {10.17188/1270590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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