The synthesis, structure, and electrical properties o
f the oxysul
fide CaZnOS are reported. The white compoundhas a band gap o
f 3.7(1) eV and crystallizes in hexagonal space group
P6
3mc (No. 186) with
a = 3.75726(3) Å,
c = 11.4013(1) Å, and
Z = 2. The noncentrosymmetric structure, which has
few analogues, is composed o
fisotypic puckered hexagonal ZnS and CaO layers arranged so that ZnS
3O tetrahedra are all aligned parallel,resulting in a polar structure. The compound shows type 1 non-phase-matchable second harmonic generation,determined using 1064 nm radiation, with an e
fficiency approximately 100 times that o
f ![](/images/gi<font color=)
fchars/alpha.gi
f" BORDER=0>-SiO
2 and a piezoelectriccoe
fficient o
f 38 pm V
-1. Although polar, CaZnOS is not
ferroelectric and the pyroelectric coe
fficient is very small,approximately 0.0
![](/images/entities/mgr.gi<font color=)
f">C m
-2 K
-1 between room temperature and 100
![](/images/entities/deg.gi<font color=)
f">C.