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

Journal Article · · Physics and Chemistry of Minerals
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)
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High-temperature structural behavior of a stuffed derivative of -quartz, Mg0.5AlSiO4, has been investigated using in situ synchrotron-based angle-dispersive powder X-ray diffraction (XRD) from 299 to 1273K. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 remains isostructural with -quartz throughout the temperature range tested. As in -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)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 () are much smaller for Mg0.5AlSiO4 than for -quartz. This behavior can be attributed to the occupancy of Mg2+ over the octahedral channel sites in the -quartz-type framework, effectively hindering the [(Al,Si)O-4] tetrahedral tilting. As a result, the - to -quartz phase transformation, which exists in silica at 846K, does not occur in Mg0.5AlSiO4 up to 1273K, and probably beyond, to its melting point.

Research Organization:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
89233218CNA000001; AC02-06CH11357
OSTI ID:
1532720
Alternate ID(s):
OSTI ID: 1576969; OSTI ID: 1630418
Report Number(s):
LA-UR-19-21198
Journal Information:
Physics and Chemistry of Minerals, Vol. 46, Issue 7; ISSN 0342-1791
Publisher:
SpringerCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

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Related Subjects

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
crystal structure
high temperature
stuffed derivative
synchrotron X-ray diffraction
thermal expansion
x-quartz
alpha-Quartz