COL  ICSD Collection Code 64980
 DATE Recorded Jun 26, 1998
 NAME Silicon oxide
 MINR Quartz high - synthetic from Quarzkeramik, Stockdorf
 FORM Si O2
      = O2 Si
 TITL The Structure of Quartz at 25 and 590 C Determined by Neutron 
      Diffraction
 REF  Journal of Solid State Chemistry
      JSSCB 36 (1981) 371-380
 AUT  Wright A F, Lehmann˙M˙S
 CELL a=4.998 b=4.998 c=5.460 ŕ=90.0 á=90.0 ç=120.0
      V=118.1 Z=3
 SGR  P 62 2 2      (180) - hexagonal
 CLAS 622   (Hermann-Mauguin) - D6  (Schoenflies)
 PRS  hP9
 ANX  AX2
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      Si     1  4.000    6g  0.486       0.          0.            0.5
      O      1 -2.000   12k  0.4179(4)   0.2432(8)   0.1416(8)     0.5
 WYCK k g
 ITF  Si  1   B=1.46(9)
˙
 TF   Atom   U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
      O  1    0.0510  0.0410  0.0270  0.0320 -0.0020 -0.0130
                (20)    (90)    (70)    (20)    (20)    (60)
 REM  NDP (neutron diffraction from a powder)
 REM  TEM 903
 REM  M Rp(O in pos. 6j: .4162 .2081 .1667 and Si in 3c)=0.0804
 REM  M R(Bragg)=0.0261, for Si and O unsplit: 0.044
 RVAL 0.072