A new high-pressure silica phase obtained by molecular dynamics—Discussion
نویسندگان
چکیده
pressure silica phase (which they denoted SBAD) with space group Pnc2 from molecular dynamics (MD) simulations. However, we noticed that a simple cell transformation for the reported structural data of the SBAD phase results in a structure that is virtually the same as the well known α-PbO2 type SiO2 structure with space group Pbcn, as previously described by Matsui and Kawamura (1987) and Matsui and Matsui (1988). To compare the two structures, we transformed the coordinates of the SBAD (Pnc2) in accord with those of the α-PbO2 (Pbcn) structure as follows:
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