Water Molecules have this triangular shape, this triangular shape is also polarized. This configuration makes it so that when water freezes the least energetic configuration for the molecules(which is in a nutshell what cooling is: removing energy) is a solid structure that takes up more space than it would when free flowing and the molecules can jostle each other a squeeze in a better fit.
Think a LEGO building, it takes up more space when assembled and is less dense.
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