TY - JOUR
T1 - Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature
T2 - an in situ synchrotron XRD study
AU - Xu, Hongwu
AU - Lü, Xujie
AU - Heaney, Peter J.
AU - Ren, Yang
N1 - Funding Information:
Acknowledgements We thank J. L. Baker for plotting Fig. 2 and the two anonymous reviewers for helpful comments. This work was supported by the Laboratory Directed Research and Development (LDRD) program of Los Alamos National Laboratory (LANL). This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract No. DE-AC02-06CH11357. Some experiments were carried out at the National Synchrotron Light Source, Brookhaven National Laboratory, which was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-98CH10886. LANL, an affirmative action/equal opportunity employer, is managed by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract 89233218CNA000001.
Funding Information:
We thank J. L. Baker for plotting Fig.?2 and the two anonymous reviewers for helpful comments. This work was supported by the Laboratory Directed Research and Development (LDRD) program of Los Alamos National Laboratory (LANL). This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract No. DE-AC02-06CH11357. Some experiments were carried out at the National Synchrotron Light Source, Brookhaven National Laboratory, which was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-98CH10886. LANL, an affirmative action/equal opportunity employer, is managed by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract 89233218CNA000001.
Publisher Copyright:
© 2019, Springer-Verlag GmbH Germany, part of Springer Nature.
PY - 2019/7/1
Y1 - 2019/7/1
N2 - High-temperature structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, has been investigated using in situ synchrotron-based angle-dispersive powder X-ray diffraction (XRD) from 299 to 1273 K. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 remains isostructural with α-quartz throughout the temperature range tested. As in α-quartz, unit-cell parameters a and c and cell volume V of Mg0.5AlSiO4 increase with increasing temperature, primarily due to progressive tilting of [(Al,Si)O4] tetrahedra along the a axes. However, the rates of increase in the cell parameters and the rate of decrease in the tetrahedral tilt angle (δ) are much smaller for Mg0.5AlSiO4 than for α-quartz. This behavior can be attributed to the occupancy of Mg2+ over the octahedral channel sites in the α-quartz-type framework, effectively hindering the [(Al,Si)O4] tetrahedral tilting. As a result, the α- to β-quartz phase transformation, which exists in silica at 846 K, does not occur in Mg0.5AlSiO4 up to 1273 K, and probably beyond, to its melting point.
AB - High-temperature structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, has been investigated using in situ synchrotron-based angle-dispersive powder X-ray diffraction (XRD) from 299 to 1273 K. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 remains isostructural with α-quartz throughout the temperature range tested. As in α-quartz, unit-cell parameters a and c and cell volume V of Mg0.5AlSiO4 increase with increasing temperature, primarily due to progressive tilting of [(Al,Si)O4] tetrahedra along the a axes. However, the rates of increase in the cell parameters and the rate of decrease in the tetrahedral tilt angle (δ) are much smaller for Mg0.5AlSiO4 than for α-quartz. This behavior can be attributed to the occupancy of Mg2+ over the octahedral channel sites in the α-quartz-type framework, effectively hindering the [(Al,Si)O4] tetrahedral tilting. As a result, the α- to β-quartz phase transformation, which exists in silica at 846 K, does not occur in Mg0.5AlSiO4 up to 1273 K, and probably beyond, to its melting point.
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U2 - 10.1007/s00269-019-01033-1
DO - 10.1007/s00269-019-01033-1
M3 - Article
AN - SCOPUS:85064822130
SN - 0342-1791
VL - 46
SP - 717
EP - 725
JO - Physics and Chemistry of Minerals
JF - Physics and Chemistry of Minerals
IS - 7
ER -