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Title: X-ray diffraction investigations of structural modifications in In-doped tin pyrophosphates

Abstract

Laboratory and synchrotron x-ray powder diffraction were used to investigate the structural modifications that occur upon indium doping of tin pyrophosphate. The data collected under air, vacuum, and inert gas sample environments at temperatures (T) from 50 °C to 300 °C show that regardless of the In-doping level (0 ≤ x ≤ 0.18) all InxSn1-xP2O7 samples are isomorphic (have the same P a -3 cubic crystal structure) at all temperatures and under all the conditions investigated. The cubic lattice parameter (a) increases linearly with T at all doping levels, but the “a vs. x|T“ isotherms exhibit a robust peak at x = 0.1 when data are collected on samples measured in air. On the other hand, Rietveld refinements against data collected on InxSn1-xP2O7 samples yield values of OO bond lengths and POP bond angles that show no major changes at x = 0.1 at any temperature. This is significant, as the Sn0.9In0.1P2O7 (x = 0.1) compound is known to exhibit the highest proton conductivity within the series, but the microscopic details responsible for the increased proton conductivity are not understood. Finally, the peak observed in the “a vs. x|T“ curves vanishes if the measurements are taken on samples kept eithermore » under vacuum or in an inert gas environment. This is a remarkable behavior as it lends further support to our hypothesis that a key microscopic feature responsible for the large proton conductivity of the Sn0.9In0.1P2O7 compound is the enlargement of the lattice constant at x = 0.1.« less

Authors:
; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1409640
Report Number(s):
BNL-114692-2017-JA¿¿¿
Journal ID: ISSN 0254-0584
DOE Contract Number:
SC0012704
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Chemistry and Physics; Journal Volume: 196; Journal Issue: C
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Botez, Cristian E., Martinez, Heber, and Morris, Joshua L.. X-ray diffraction investigations of structural modifications in In-doped tin pyrophosphates. United States: N. p., 2017. Web. doi:10.1016/j.matchemphys.2017.04.058.
Botez, Cristian E., Martinez, Heber, & Morris, Joshua L.. X-ray diffraction investigations of structural modifications in In-doped tin pyrophosphates. United States. doi:10.1016/j.matchemphys.2017.04.058.
Botez, Cristian E., Martinez, Heber, and Morris, Joshua L.. Tue . "X-ray diffraction investigations of structural modifications in In-doped tin pyrophosphates". United States. doi:10.1016/j.matchemphys.2017.04.058.
@article{osti_1409640,
title = {X-ray diffraction investigations of structural modifications in In-doped tin pyrophosphates},
author = {Botez, Cristian E. and Martinez, Heber and Morris, Joshua L.},
abstractNote = {Laboratory and synchrotron x-ray powder diffraction were used to investigate the structural modifications that occur upon indium doping of tin pyrophosphate. The data collected under air, vacuum, and inert gas sample environments at temperatures (T) from 50 °C to 300 °C show that regardless of the In-doping level (0 ≤ x ≤ 0.18) all InxSn1-xP2O7 samples are isomorphic (have the same P a -3 cubic crystal structure) at all temperatures and under all the conditions investigated. The cubic lattice parameter (a) increases linearly with T at all doping levels, but the “a vs. x|T“ isotherms exhibit a robust peak at x = 0.1 when data are collected on samples measured in air. On the other hand, Rietveld refinements against data collected on InxSn1-xP2O7 samples yield values of OO bond lengths and POP bond angles that show no major changes at x = 0.1 at any temperature. This is significant, as the Sn0.9In0.1P2O7 (x = 0.1) compound is known to exhibit the highest proton conductivity within the series, but the microscopic details responsible for the increased proton conductivity are not understood. Finally, the peak observed in the “a vs. x|T“ curves vanishes if the measurements are taken on samples kept either under vacuum or in an inert gas environment. This is a remarkable behavior as it lends further support to our hypothesis that a key microscopic feature responsible for the large proton conductivity of the Sn0.9In0.1P2O7 compound is the enlargement of the lattice constant at x = 0.1.},
doi = {10.1016/j.matchemphys.2017.04.058},
journal = {Materials Chemistry and Physics},
number = C,
volume = 196,
place = {United States},
year = {Tue Aug 01 00:00:00 EDT 2017},
month = {Tue Aug 01 00:00:00 EDT 2017}
}