Nissonite
Groat L A, Hawthorne F C
American Mineralogist 75 (1990) 1170-1175
The crystal structure of nissonite
_database_code_amcsd 0001329
22.523 5.015 10.506 90 99.62 90 C2/c
atom      x     y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu   .24534 .1541 .36677       0.086 0.131  0.055  -0.023 -0.033 -0.016
P     .3437 .1768  .2264       0.061 0.115  0.056   0.013 -0.043  0.002
Mg    .1226 .1547  .4673       0.049 0.108  0.044  -0.010 -0.040 -0.001
O1    .3631  .103  .3702       0.177 0.167  0.059   0.059 -0.063  0.013
O2    .2770  .296  .2161       0.058 0.123  0.088   0.034 -0.023  0.005
O3    .3846  .388  .1833       0.083 0.129  0.122  -0.005 -0.019  0.035
O4    .3405 -.072  .1447       0.085 0.169  0.123   0.008 -0.038 -0.036
Oh    .2136  .055  .5211 .007
OW1   .0866 -.138  .5790       0.127 0.176  0.131  -0.047 -0.047 -0.008
OW2   .0359  .288  .4132       0.059 0.355  0.263       0 -0.055      0
OW3      .5  .201    .25       0.090 0.292  0.388       0 -0.134      0
H      .245     0   .578 .015
HW1a   .105     0   .598 .015
HW1b   .057  .015   .639 .015
HW2a   .023  .434   .355 .015
HW2b      0  .237   .415 .015
HW3    .460  .268   .227 .015