Complete structure solution of a new strontium aluminosilicate Sr1.05 Si1.9 Al0.1 O5
We have recently isolated a new metastable strontium aluminosilicate Sr1.05 Si1.9 Al0.1 O5 by a computationally-guided exploration approach. The PXRD pattern is indexed to a primitive monoclinic unit cell (volume ~740 A3). We have conducted a partial structure solution in-house using laboratory PXRD: charge flipping and simulated annealing have located the strongly-scattering Sr atom positions with a high degree of certainty, but we have very low precision on the Si and O positions. Neutron diffraction will allow us to locate these sites correctly and complete the structure solution.
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PITCHER MICHAEL and SAVVIN Stanislav. (2021). Complete structure solution of a new strontium aluminosilicate Sr1.05 Si1.9 Al0.1 O5. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.EASY-745
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