0000000000639847
AUTHOR
Ross J. Angel
High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5].
The structure of N,N-dimethylethylenediammonium pentachloroantimonate(III), [(CH3)2NH(CH2)2NH3][SbCl5], NNDP, was investigated at 100 and 15 K at ambient pressure, as well as at pressures up to 4.00 GPa at room temperature in the diamond-anvil cell. The stable structure at low temperatures and low pressures consists of isolated [SbCl5]2- anions and [(CH3)2NH(CH2)2NH3]2+ cations. The inorganic anions have a distorted square pyramidal geometry. They are arranged in linear chains parallel to the c axis. In contrast to the low-temperature studies, where no phase transition was detected, pressure induces a P2(1)/c --P2(1)/n phase transition between 0.55 and 1.00 GPa, accompanied by a doubling of…
EntraPT: An online platform for elastic geothermobarometry
Abstract EntraPT is a web-based application for elastic geobarometry freely accessible at the “Fiorenzo Mazzi” experimental mineralogy lab website (http://www.mineralogylab.com/software/). It provides an easy-to-use tool to calculate the entrapment conditions of inclusions, with error propagation, from the residual strain measured in mineral inclusions. EntraPT establishes a method and a workflow to import and analyze the measured residual strains, correctly calculates the mean stress in the inclusions, computes the entrapment isomekes with uncertainty estimation, and visualizes all the results in relevant graphs. It enables the user to avoid the many possible errors that can arise from man…
Effective hydrostatic limits of pressure media for high‐pressure crystallographic studies
The behavior of a number of commonly used pressure media, including nitrogen, argon, 2-propanol, a 4:1 methanol–ethanol mixture, glycerol and various grades of silicone oil, has been examined by measuring the X-ray diffraction maxima from quartz single crystals loaded in a diamond-anvil cell with each of these pressure media in turn. In all cases, the onset of non-hydrostatic stresses within the medium is detectable as the broadening of the rocking curves of X-ray diffraction peaks from the single crystals. The onset of broadening of the rocking curves of quartz is detected at ∼9.8 GPa in a 4:1 mixture of methanol and ethanol and at ∼4.2 GPa in 2-propanol, essentially at the same pressures …
Elastic Geobarometry for Anisotropic Inclusions in Anisotropic Host Minerals: Quartz-in-Zircon
Current models for elastic geobarometry have been developed with the assumption that the host and/or inclusion minerals are elastically isotropic. This assumption has limited applications of elastic thermobarometry to mineral inclusions contained in cubic quasi-isotropic host minerals (e.g., garnet). Here, we report a new elastic model that takes into account the anisotropic elastic properties and relative crystallographic orientation (RCO) of a host-inclusion system where both minerals are noncubic. This anisotropic elastic model can be used for host-inclusion elastic thermobarometric calculations provided that the RCO and elastic properties of both the host and inclusion are known. We the…
self-consistent approach to describe unit-cell-parameter and volume variations with pressure and temperature
A method is presented for the self-consistent description of the variations of unit-cell parameters of crystals with pressure and temperature.
Low-temperature single crystal X-ray diffraction and high-pressure Raman studies on [(CH3)2NH2]2[SbCl5]
The structure of bis(dimethylammonium) pentachloroantimonate(III), [(CH{sub 3}){sub 2}NH{sub 2}]{sub 2}[SbCl{sub 5}], BDP, was studied at 15 K and ambient pressure by single-crystal X-ray diffraction as well as at ambient temperature and high pressures up to 4.87(5) GPa by Raman spectroscopy. BDP crystallizes in the orthorhombic Pnma space group with a=8.4069(4), b=11.7973(7), c=14.8496(7) A, and Z=4; R{sub 1}=0.0381, wR{sub 2}=0.0764. The structure consists of distorted [SbCl{sub 6}]{sup 3-} octahedra forming zig-zag [{l_brace}SbCl{sub 5}{r_brace}{sub n}]{sup 2n-} chains that are cross-linked by dimethylammonium [(CH{sub 3}){sub 2}NH{sub 2}]{sup +} cations. The organic and inorganic substr…