Here, a tetragonally distorted fourfold coordinated 
-System is
concerned, alpha controls the axial compression of the
tetrahedron. Beneath the sextet ground state, only quartets are
calculated, but no doublets (BAS 4). It is typical for a
relatively weak distorted tetrahedron that 
und 
cannot be determined independently. Therefore, has been
arbitrarily set to zero, and additionaly the `classical' Dq
parameter is printed out.
FeS4(5-), Lit: Inorg. Chem. 32, 654 (1993), Table XI 5 D4 VAR esig = 4260 B = 460 C = 1800 alpha = 102.4 * epi = 0 theta+ = alpha / 2 theta- = 180 - theta+ Dq = 3 * esig / 10 TPP theta+ 45 theta+ -135 theta- 135 theta- -45 AOM esig epi epi esig epi epi esig epi epi esig epi epi VEE 0 B C BAS 4 RUN