Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study

Hongwu Xu, Xujie Lü, Peter J. Heaney, Yang Ren

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish (US)
Pages (from-to)717-725
Number of pages9
JournalPhysics and Chemistry of Minerals
Volume46
Issue number7
DOIs
StatePublished - Jul 1 2019

Fingerprint

Quartz
Synchrotrons
X-ray diffraction
quartz
Derivatives
X ray diffraction
Temperature
Rietveld analysis
tilt
Silicon Dioxide
X ray powder diffraction
Melting point
in situ
melting
silica
Phase transitions
temperature
Silica

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Geochemistry and Petrology

Cite this

@article{7287da0e76e84a51959875cf308d8340,
title = "Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study",
abstract = "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.",
author = "Hongwu Xu and Xujie L{\"u} and Heaney, {Peter J.} and Yang Ren",
year = "2019",
month = "7",
day = "1",
doi = "10.1007/s00269-019-01033-1",
language = "English (US)",
volume = "46",
pages = "717--725",
journal = "Physics and Chemistry of Minerals",
issn = "0342-1791",
publisher = "Springer Verlag",
number = "7",

}

Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature : an in situ synchrotron XRD study. / Xu, Hongwu; Lü, Xujie; Heaney, Peter J.; Ren, Yang.

In: Physics and Chemistry of Minerals, Vol. 46, No. 7, 01.07.2019, p. 717-725.

Research output: Contribution to journalArticle

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

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.

UR - http://www.scopus.com/inward/record.url?scp=85064822130&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85064822130&partnerID=8YFLogxK

U2 - 10.1007/s00269-019-01033-1

DO - 10.1007/s00269-019-01033-1

M3 - Article

AN - SCOPUS:85064822130

VL - 46

SP - 717

EP - 725

JO - Physics and Chemistry of Minerals

JF - Physics and Chemistry of Minerals

SN - 0342-1791

IS - 7

ER -