Infrared spectra show that picropharmacolite contains water molecules H2O,
hydroxyl groups (OH)− co-ordinated with Mg2+
cations, and acid arsenate radicals (HAsO4)2−. There are strong structural similarities with
guerinite, Ca5(AsO3OH)2(AsO4)2.9H2O which indicates a similar formula for the two minerals.
X-ray diffraction methods indicate that As, Ca and Mg cations are positioned in corrugated layers parallel to the c axis, the layers being linked by
hydrogen bonding only. Four independent water molecules are sandwiched between adjacent layers, and build up hydrogen-bonded chains which are also parallel to the c axis. The ratio of four Ca to one Mg remains fairly steady, and no significant Ca/Mg substitution occurs in any cation site. Hence if the formula of picropharmacolite is written as Ca4Mg(H2O)7(AsO3OH)2(AsO4)2.4H2O, it is a better representation of the structure than the more usual formula Ca4Mg(AsO3OH)2(AsO4)2.11H2O. == Morphology ==