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Synthesis and crystal structures of new high-pressure phases CaAl2O4 and Ca2Al6O11

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Abstract The phases of CaAl2O4 and Ca2Al6O11 were synthesized at 15 GPa and 1600 °C. Microprobe data gave formulae Ca1.003Al1.998O4 and Ca2.05Al5.97O11, on the basis of 4 and 11 oxygen atoms. The… Click to show full abstract

Abstract The phases of CaAl2O4 and Ca2Al6O11 were synthesized at 15 GPa and 1600 °C. Microprobe data gave formulae Ca1.003Al1.998O4 and Ca2.05Al5.97O11, on the basis of 4 and 11 oxygen atoms. The crystal structures have been refined by single-crystal X-ray diffraction. Orthorhombic unitcell parameters for CaAl2O4 are a = 8.8569(10) A; b = 2.8561(4) A; c = 10.2521(11) A; V = 259.34(5) A3; Z = 8 (space group Pnma). The Ca2Al6O11 phase was obtained for the first time. It crystallizes with a space group P42/mnm and has lattice parameters a = b = 11.1675(4) A; c = 2.83180(10) A; V = 353.16(2) A3; Z = 2. A Raman spectrum was obtained for a new phase for the first time. Our results suggest that both studied phases are stable under the condition of the transition zone and can be considered as potential aluminum concentrators in the Earth's deep geospheres.

Keywords: crystal structures; caal2o4 ca2al6o11; structures new; synthesis crystal; phases caal2o4

Journal Title: Lithos
Year Published: 2020

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