Azurite
Belokoneva E L, Gubina Y K, Forsyth J B
Physics and Chemistry of Minerals 28 (2001) 498-507
The charge density distribution and antiferromagnetic properties of
azurite Cu3[CO3]2(OH)2
Note: O1 x-coordinate altered
_database_code_amcsd 0008598
5.011 5.850 10.353 90 92.41 90 P2_1/c
atom      x     y     z Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Cu1       0     0     0      .01101 .00793 .00875 -.00154  .00066  .00088
Cu2  -.2503 .9985 .4166      .00911 .00983 .00814  .00067 -.00128 -.00121
C      .329  .300  .318       .0116  .0102  .0079   .0021  -.0002   .0006
O1    .0728  .811  .445       .0118  .0098 .01021   .0004   .0003  -.0012
O2     .104  .399  .331       .0152  .0175 .01052   .0073   .0002  -.0009
O3     .450  .208  .417       .0151  .0174 .00888   .0062   .0000   .0028
O4     .431  .296  .207       .0144  .0173 .00857   .0043   .0019   .0030
H      .180  .801  .369 .032