X-ray Diffraction, X-ray Photoelectron Spectra, Crystal Structure, and Optical Properties of Centrosymmetric Strontium Borate Sr2B16O26

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F09%3A00010030" target="_blank" >RIV/60076658:12640/09:00010030 - isvavai.cz</a>

Result on the web

—

DOI - Digital Object Identifier

—

Result language

angličtina

Original language name

X-ray Diffraction, X-ray Photoelectron Spectra, Crystal Structure, and Optical Properties of Centrosymmetric Strontium Borate Sr2B16O26

Original language description

AB We report results of X-ray diffraction (XRD) and valence band X-ray photoelectron (VB-XPS) spectra for strontium borate Sr2B16O26. The X-ray structural analysis shows that the single crystals of Sr2B16O26 crystallize in the monoclinic space group P2(1)lc with a = 8.408(1) angstrom, b = 16.672(1) angstrom, c = 13.901(2) angstrom, beta = 106.33( 1)degrees, and Z = 4. The crystal structure consists of a 3D network of the complex borate anion [B16O20O12/2](4-), formed by 12 BO3 triangles and four BO4 tetrahedra, which can be viewed as three linked [B3O3O4/2](-) triborate groups bonded to one pentaborate [B5O6O4/2](-) group and two BO3 triangles. Using this structure, we have performed theoretical calculations using the all-electron full potential linearized augmented plane wave (FP-LAPW) method for the hand Structure, density of states, electron charge density, and the frequency-dependent optical properties. Our experimental VB-XPS of Sr2B16O26 is compared with results of our FP-LAPW ca

Czech name

—

Czech description

—

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BO - Biophysics

OECD FORD branch

—

Project

—

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

—

Volume of the periodical

113

Issue of the periodical within the volume

27

Country of publishing house

US - UNITED STATES

Number of pages

7

Pages from-to

—

UT code for WoS article

000267651600019

EID of the result in the Scopus database

—