COL  ICSD Collection Code 66865
 DATE Recorded Nov 10, 1997
 NAME Copper(I) indium sulfide
 FORM Cu In S2
      = Cu In S2
 TITL Piezoelectric nonlinear optic Cu Ga S2 and Cu In S2 crystal 
      structure: Sublattice distortion in A(I) B(III) C(VI)2 and A(II) 
      B(IV) C(V)2 type chalcopyrites
 REF  Journal of Chemical Physics
      JCPSA 59 (1973) 5415-5420
 AUT  Abrahams S C, BernsteinÿJÿL
 CELL a=5.523 b=5.523 c=11.133 à=90.0 á=90.0 ç=90.0
      V=339.6 D=4.79 Z=4
 SGR  I -4 2 d      (122) - tetragonal
 CLAS -42m  (Hermann-Mauguin) - D2d (Schoenflies)
 PRS  tI16
 ANX  ABX2
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Cu     1  1.000    4a  0.      0.      0.
      In     1  3.000    4b  0.      0.      1/2
      S      1 -2.000    8d  0.22946 1/4     1/8
 WYCK d b a
ÿ
 TF   Atom   á(1,1)  á(2,2)  á(3,3)  á(1,2)  á(1,3)  á(2,3)
      Cu 1    0.0132  0.0132  0.0032  0.0000  0.0000  0.0000
      In 1    0.0085  0.0085  0.0020  0.0000  0.0000  0.0000
      S  1    0.0092  0.0069  0.0021  0.0000  0.0000 -0.0019
 REM  TEM 198
 RVAL 0.030
 TEST Calculated density unusual but tolerable. (Code 23)