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Bulk modulus and high-pressure crystal structures of tetrakis(trimethylsilyl)methane C[Si(CH3)3]4 determined by X-ray powder diffraction

The pressure dependence of the crystal structure of cubic tetrakis(trimethylsilyl)methane C[Si(CH3)3]4 (TC) (P 10 GPa) a transformation is observed into a c.c.p. structure that is different from the face-centred-cubic structure at ambient conditions. A non-linear compression behaviour is observed, which could be described by a Vinet relation in the range 0.28-4.8 GPa. The extrapolated bulk modulu

High-pressure transitions of trigonal α-ZrMo2O8

High-pressure synchrotron x-ray powder-diffraction studies show that trigonal α-ZrMo2O8 transforms to a monoclinic symmetry phase (δ-ZrMo2O8) at 1.06-1.11 GPa. The space group was determined to C2/m. A further high-pressure transition from the monoclinic δ to a triclinic ε phase occur at 2.0-2.5 GPa (space group P1 or P1). Both transformations are reversible. The volume compressibilities are simil

High-pressure structures of α- and δ-ZrMo2O8

In situ high-pressure synchrotron X-ray powder diffraction studies of trigonal α-ZrMo2O8, zirconium molybdate, have been performed from ambient conditions to 1.9 GPa, over the α-δ phase transition at 1.06-1.11 GPa. The monoclinic structure of δ-ZrMo2O8, stable between 1.1 and 2.5 GPa at 298 K, has been solved by direct methods and refined using the Rietveld method. Significant distortions of the Z

Pressure-induced phase transitions in α-ZrMo2O8

We report high-pressure Raman, infrared (IR), and optical-absorption spectra of α-ZrMo2O8 (trigonal) up to 38 GPa at room temperature. The spectroscopic studies are consistent with diffraction results that show that α-ZrMo2O8 transforms into δ-ZrMo2O8 (monoclinic) at about 1 GPa and the δ phase converts to the ε phase (triclinic) at about 2.0 GPa. Optical-absorption measurements give an estimate o

High-pressure properties of TiP2O7, ZrP2O7 and ZrV2O7

High-pressure synchrotron X-ray powder diffraction studies of TiP2O7, ZrP2O7 and ZrV2O7 have been performed. The ZrV2O7 structure undergoes a reversible transition at 1.38-1.58 GPa from cubic α- to pseudo-tetragonal β-ZrV2O7 that displays an orthorhombic 2 × 3 × 3 supercell. At pressures above 4 GPa, ZrV2O7 becomes irreversibly X-ray amorphous. No such transformations are observed for TiP2O7 and Z

Martensitic fcc-to-hcp transformation observed in xenon at high pressure

The martensitic face centered cubic (fcc)-to-hexagonal close packing (hcp) transformations in xenon were studied using angle-resolved x-ray diffraction patterns. The crystal structure data of xenon over a wide range of high pressure and temperature was analyzed to study the stacking disorders and growth of domains of hcp xenon coexisting with fcc xenon. The analysis confirmed that the formation of

Chemical interaction of Fe and Al2O3 as a source of heterogeneity at the Earth's core-mantle boundary

Seismological studies have revealed that a complex texture or heterogeneity exists in the Earth's inner core and at the boundary between core and mantle. These studies highlight the importance of understanding the properties of iron when modelling the composition and dynamics of the core and the interaction of the core with the lowermost mantle. One of the main problems in inferring the compositio

Pressure-induced invar effect in Fe-Ni alloys

A study was conducted to quantify the extraordinary feature of materials of becoming easier to squeeze when pressure is applied to them. This feature was verified by measurements of P-V relations for cubic iron-nickel alloys for three different compositions: Fe0.64Ni0.36, Fe0.55Ni0.45, and Fe0.20Ni0.80.

Stability of KAlSi3O8 hollandite-type structure in the earth's lower mantle conditions

The stability of KAISi3O8 hollandite-type structure is investigated in a series of synthesis experiments between 20 and 95 GPa at 650(±50) °C and between 1200 to 2300 °C, using electrically- and laser-heated diamond anvil cells, respectively. Potassium feldspar transformed to a hollandite-type structure in the experimental pressure range from 20 to 95 GPa at temperatures between 1200 to 2300 °C, w

Bulk modulus and non-uniform compression of Nb3Te4 and InxNb3Te4 (x <1) channel compounds

The crystal structures of Nb3Te4 and InxNb3Te4 [x = 0.539 (4)] are reported for a series of pressures between 0 and 40 GPa. Both compounds crystallize in space group P63/m with a = b = 10.671 and c = 3.6468 Å for Nb3Te4, and a = b = 10.677 and c = 3.6566 Å for InxNb3Te4 at ambient conditions. Phase transitions were not observed. High-pressure X-ray powder diffraction was measured using a diamond a

TIF and PbO under high pressure : Unexpected persistence of the stereochemically active electron pair

Even under a pressure of 46 GPa, the low-symmetry lone-pair structures of isoelectronic TIF and PbO (see picture for β-PbO), classic examples of systems with a stereochemically active lone pair, resist transformation into the corresponding high-symmetry NaCl and CsCl structures. Ab initio calculations allowed a simple bonding picture for lone-pair structures involving inert-pair elements to be dev