 COL  Collection Code 34383 (recorded Jan 1, 1980)
 NAME Dicopper dihydroxide carbonate
 MINR Malachite
 FORM Cu2 (O H)2 C O3
 TITL Verfeinerung der Kristallstruktur des Malachits, Cu2 (O H)2 C O3
 REF  NATWA 53 (1966) 80
 AUT  Suesse P
 SYM  x, y, z
 SYM  0.500-x, 0.500+y, -z
 SYM  -x, -y, -z
 SYM  0.500+x, 0.500-y, z
 CELL a=9.502 b=11.974 c=3.240 =90.0 =98.8 =90.0
      V=364.3 Z=4
 SGR  P 1 21/a 1    (14) - monoclinic
 ANX  AB2X5
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      Cu     1  2.000    4e  0.4981(2)   0.2879(1)   0.8931(5)
      Cu     2  2.000    4e  0.2323(2)   0.3932(1)   0.3883(5)
      O      1 -2.000    4e  0.1312(8)   0.1363(7)   0.3381(28)
      O      2 -2.000    4e  0.3327(8)   0.2351(7)   0.4447(28)
      O      3 -2.000    4e  0.3341(9)   0.0556(7)   0.629(3)
      OH1    4 -2.000    4e  0.094(1)    0.3517(7)   0.916(3)
      OH1    5 -2.000    4e  0.3765(8)   0.4161(10)  0.865(0)
      C      1  4.000    4e  0.2666(12)  0.1404(10)  0.471(5)
      H      1  1.000    8 Atoms not located in Unit Cell
 ITF  Cu  1   B= 1.0800
 ITF  Cu  2   B= 1.0400
 ITF  O   1   B= 0.5000
 ITF  O   2   B= 0.5000
 ITF  O   3   B= 0.6000
 ITF  O   4   B= 0.3000
 ITF  O   5   B= 0.4000
 ITF  C   1   B= 0.5000
 RVAL 0.063


