Malachite
Zigan F, Joswig W, Schuster H U, Mason S A
Zeitschrift fur Kristallographie 145 (1977) 412-426
Verfeinerung der Struktur von Malachit, Cu2(OH)2CO3, durch Neutronenbeugung
_database_code_amcsd 0010795
9.502 11.974 3.240 90 98.75 90 P2_1/a
atom      x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .49814 .28793 .8925  .0065  .0068  .0105  .0013 -.0019 -.0005
Cu2  .23242 .39331 .3880  .0068  .0066  .0094  .0005 -.0023 -.0012
O1   .13150 .13646 .3417  .0073  .0091  .0168 -.0008 -.0031  .0021
O2   .33325 .23591 .4500  .0081  .0065  .0145 -.0013 -.0021  .0005
O3   .33412 .05622 .6308  .0088  .0071  .0176 -.0005 -.0035  .0017
O4   .09403 .35155 .9191  .0070  .0066  .0122 -.0013 -.0025 -.0007
O5   .37725 .41615 .8598  .0077  .0064  .0137  .0008 -.0029 -.0005
C1   .26622 .14075 .4727  .0062  .0060  .0089 -.0009 -.0012 -.0003
H1    .0167  .4048 .8444  .0198  .0196  .0305  .0057 -.0014  .0013
H2    .4105  .4918 .8296  .0288  .0140  .0388 -.0059 -.0016 -.0001