1）不寻常结构的MS建立；

2）物质结构规则

1. ice rules

     In chemistry, ice rules are basic principles that govern arrangement of atoms in water ice. They are also known as Bernal–Fowler rules, after British physicists John Desmond Bernal and Ralph H. Fowler who first described them in 1933.^[1]

    The rules state each oxygen is covalently bonded to two hydrogen atoms, and that the oxygen atom in each water molecule forms two hydrogen bonds with other oxygens, so that there is precisely one hydrogen between each pair of oxygen atoms.^[2]

    In other words, in ordinary Ih ice every oxygen is bonded to the total of four hydrogens, two of these bonds are strong and two of them are much weaker.

    Every hydrogen is bonded to two oxygens, strongly to one and weakly to the other.

    The resulting configuration is geometrically an ordered lattice periodic lattice. The distribution of bonds on this lattice is represented by a directed-graph (arrows) and can be either ordered or disordered.

    In 1935 Pauling used the ice rules to calculate the residual entropy (zero temperature entropy) of ice I_h.^[3] For this (and other) reasons the rules are sometimes mis-attributed and referred to as "Pauling's ice rules" (not to be confused with Pauling's rules for ionic crystals).

     A nice figure of the resulting structure can be found in.^[4]