Search results for "Metal refinement"

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Compressibility Systematics of Calcite-Type Borates: An Experimental and Theoretical Structural Study on ABO(3) (A = Al, Sc, Fe, and In)

2014

The structural properties of calcite-type orthoborates ABO(3) (A = Al, Fe, Sc, and In) have been investigated at high pressures up to 32 GPa. They were studied experimentally using synchrotron powder X-ray diffraction and theoretically by means of ab initio total-energy calculations. We found that the calcite-type structure remains stable up to the highest pressure explored in the four studied compounds. Experimental and calculated static geometries (unit-cell parameters and internal coordinates), bulk moduli, and their pressure derivatives are in good agreement. The compressibility along the c axis is roughly three times that along the a axis. Our data clearly indicate that the compressibi…

DiffractionAb initioThermodynamicschemistry.chemical_elementCrystal structureHigh-pressure behaviorchemistry.chemical_compoundstructure carbonatesCationshigh pressure behavior; augmented-wave method; structure carbonatesPhysical and Theoretical ChemistryBoronCalciteCrystal-structuresMetal refinementOxidesFeBO3Surfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyGeneral Energyhigh pressure behaviorchemistryOctahedronAugmented-wave methodFISICA APLICADATransitionCompressibilityaugmented-wave methodCarbonateStructure carbonates
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