  Ten new ternary fluorooxoborate structures were obtained from
first-principles prediction. Coplanar aligned triangle structure units [BO2F]2-
and [BOF2]- like [BO3]3- in borates were found from the computational
simulation. We identified new covalent coordination patterns of the F atom
connected with the B atoms which are located in the bridging site, -B--F--B-.
Besides, one molecular crystal with [B4O4F4] molecular unit was attached.
