Materials Data on Ca2Al4Si4H18O25 by Materials Project

Kristin Persson
(Ca2Al4Si4H17O25)2H2 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one hydrogen molecule and one Ca2Al4Si4H17O25 framework. In the Ca2Al4Si4H17O25 framework, there are four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Ca–H bond length is 2.48 Å. There are a spread of Ca–O bond distances ranging from 2.29–2.81 Å. In the second Ca2+ site,...
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