skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on April 11, 2020

Title: Structural behavior of a stuffed derivative of α-quartz, Mg 0.5AlSiO 4, at high temperature: an in situ synchrotron XRD study

Abstract

High-temperature structural behavior of a stuffed derivative of α-quartz, Mg 0.5AlSiO 4, 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 Mg 0.5AlSiO 4 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 Mg 0.5AlSiO 4 increase with increasing temperature, primarily due to progressive tilting of [(Al,Si)O 4] 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 Mg 0.5AlSiO 4 than for α-quartz. This behavior can be attributed to the occupancy of Mg 2+ over the octahedral channel sites in the α-quartz-type framework, effectively hindering the [(Al,Si)O 4] tetrahedral tilting. In conclusion, the α- to β-quartz phase transformation, which exists in silica at 846 K, does not occur in Mg 0.5AlSiO 4 up to 1273 K, and probably beyond, to its melting point.

Authors:
ORCiD logo [1];  [1];  [2];  [3]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Pennsylvania State Univ., University Park, PA (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1532720
Report Number(s):
LA-UR-19-21198
Journal ID: ISSN 0342-1791
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Physics and Chemistry of Minerals
Additional Journal Information:
Journal Volume: 46; Journal Issue: 7; Journal ID: ISSN 0342-1791
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 58 GEOSCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Earth Sciences; Material Science; α-Quartz; Stuffed derivative; Crystal structure; High temperature; Thermal expansion; Synchrotron X-ray diffraction; Rietveld analysis

Citation Formats

Xu, Hongwu, Lü, Xujie, Heaney, Peter J., and Ren, Yang. Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study. United States: N. p., 2019. Web. doi:10.1007/s00269-019-01033-1.
Xu, Hongwu, Lü, Xujie, Heaney, Peter J., & Ren, Yang. Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study. United States. doi:10.1007/s00269-019-01033-1.
Xu, Hongwu, Lü, Xujie, Heaney, Peter J., and Ren, Yang. Thu . "Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study". United States. doi:10.1007/s00269-019-01033-1.
@article{osti_1532720,
title = {Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study},
author = {Xu, Hongwu and Lü, Xujie and Heaney, Peter J. and Ren, Yang},
abstractNote = {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. In conclusion, 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.},
doi = {10.1007/s00269-019-01033-1},
journal = {Physics and Chemistry of Minerals},
number = 7,
volume = 46,
place = {United States},
year = {2019},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 11, 2020
Publisher's Version of Record

Save / Share: