D. Wittmuss et H. Kuppers, THE MORPHOLOGY OF POTASSIUM TRIHYDROGEN DIOXALATE DIHYDRATE, KH3(C2O4)2.2H2O, Zeitschrift fur Kristallographie, 209(3), 1994, pp. 232-235
With the use of a new computer program and following the PBC periodic
bond chain concept, the morphology of triclinic potassium trihydrogen
dioxalate dihydrate, KH3(C2O4)2 . 2 H2O (also termed potassium tetroxa
late, KTO) has been deduced from its crystal structure. Several values
of the parameters of the potential energies for ionic and hydrogen bo
nds were examined. The morphology turned out to be rather independent
of the choice of the potentials. The agreement with observed morpholog
ies reported in the literature is good.