Correct formula for hydrated minerals

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From: Tiziano Boschetti

Subject: Correct formula for hydrated minerals

I've noted that the water of hydrated minerals in the database thermo_phrqpitz is written as: H2O or ^H2O. So, if I add a new mineral, what's the correct form?

 

From: Tom Meuzelaar

Subject: Re: Correct formula for hydrated minerals

As far as the software is concerned, the notation you use doesn't matter- what is important is that the formation reaction for the mineral is written only in terms of the 16 basis species in the thermo_phrqpitz database. Maybe another user can shed light as to whether or not there's any significance to the differing notation styles.