Elastic behavior and pressure-induced structural evolution of synthetic boron-mullite "Al5BO9" (a = 5.678(2) Å, b = 15.015(4) Å and c = 7.700(3) Å, space group Cmc21, Z = 4) were investigated up to 7.4 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase transition or anomalous compressional behavior occurred within the investigated P range. Fitting the P-V data with a truncated second-order (in energy) Birch-Murnaghan Equation-of-State (BM-EoS), using the data weighted by the uncertainties in P and V, we obtained: V0 = 656.4(3) Å3 and KT0 = 165(7) GPa (βV0 = 0.0061(3) GPa-1). The evolution of the Eulerian finite strain versus normalized stress (fE-FE plot) leads to an almost horizontal trend, showing that a truncated second-order BM-EoS is appropriate to describe the elastic behavior of "Al5BO9" within the investigated P range. The weighted linear regression through the data points gives: FE(0) = 159(11) GPa. Axial compressibility coefficients yielded: βa = 1.4(2) × 10-3 GPa-1, βb = 3.4(4) × 10-3 GPa-1, and βc = 1.7(3) × 10-3 GPa-1 (βa:βb:βc = 1:2.43:1.21). The highest compressibilities observed in this study within (100) can be ascribed to the presence of voids represented by five-membered rings of polyhedra: Al1-Al3-Al4-Al1-Al3, which allow accommodating the effect of pressure by polyhedral tilting. Polyhedral tilting around the voids also explains the higher compressibility along [010] than along [001]. The stiffer crystallographic direction observed here might be controlled by the infinite chains of edge-sharing octahedra running along [100], which act as "pillars", making the structure less compressible along the a-axis than along the b- and c-axis. Along [100], compression can only be accommodated by deformation of the edge-sharing octahedra (and/or by compression of the Al-O bond lengths), as no polyhedral tilting can occur. In addition, a comparative elastic analysis among the mullite-type materials is carried out.
Stability at high pressure, elastic behavior and pressure-induced structural evolution of ‘‘Al5BO9’’, a mullite-type ceramic material / G.D. Gatta, N. Rotiroti, M. Fisch, Th. Armbruster. - In: PHYSICS AND CHEMISTRY OF MINERALS. - ISSN 0342-1791. - 37:4(2010 Apr), pp. 227-236. [10.1007/s00269-009-0327-x]
Stability at high pressure, elastic behavior and pressure-induced structural evolution of ‘‘Al5BO9’’, a mullite-type ceramic material.
G.D. GattaPrimo
;N. RotirotiSecondo
;
2010
Abstract
Elastic behavior and pressure-induced structural evolution of synthetic boron-mullite "Al5BO9" (a = 5.678(2) Å, b = 15.015(4) Å and c = 7.700(3) Å, space group Cmc21, Z = 4) were investigated up to 7.4 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase transition or anomalous compressional behavior occurred within the investigated P range. Fitting the P-V data with a truncated second-order (in energy) Birch-Murnaghan Equation-of-State (BM-EoS), using the data weighted by the uncertainties in P and V, we obtained: V0 = 656.4(3) Å3 and KT0 = 165(7) GPa (βV0 = 0.0061(3) GPa-1). The evolution of the Eulerian finite strain versus normalized stress (fE-FE plot) leads to an almost horizontal trend, showing that a truncated second-order BM-EoS is appropriate to describe the elastic behavior of "Al5BO9" within the investigated P range. The weighted linear regression through the data points gives: FE(0) = 159(11) GPa. Axial compressibility coefficients yielded: βa = 1.4(2) × 10-3 GPa-1, βb = 3.4(4) × 10-3 GPa-1, and βc = 1.7(3) × 10-3 GPa-1 (βa:βb:βc = 1:2.43:1.21). The highest compressibilities observed in this study within (100) can be ascribed to the presence of voids represented by five-membered rings of polyhedra: Al1-Al3-Al4-Al1-Al3, which allow accommodating the effect of pressure by polyhedral tilting. Polyhedral tilting around the voids also explains the higher compressibility along [010] than along [001]. The stiffer crystallographic direction observed here might be controlled by the infinite chains of edge-sharing octahedra running along [100], which act as "pillars", making the structure less compressible along the a-axis than along the b- and c-axis. Along [100], compression can only be accommodated by deformation of the edge-sharing octahedra (and/or by compression of the Al-O bond lengths), as no polyhedral tilting can occur. In addition, a comparative elastic analysis among the mullite-type materials is carried out.Pubblicazioni consigliate
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