Brochantite
Helliwell M, Smith J V
Acta Crystallographica C53 (1997) 1369-1371
Brochantite
Locality: Socorro, New Mexico, USA
_database_code_amcsd 0010313
13.0870 9.8350 6.015 90 103.330 90 P2_1/a
atom      x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .29394 .49030 .5202 .0108  .0091  .0119  .0113 -.0020  .0021  .0003
Cu2  .29794 .49040 .0240 .0125  .0127  .0115  .0133 -.0013  .0031 -.0016
Cu3  .11808 .26070 .1818 .0100  .0109  .0101  .0094 -.0015  .0030 -.0011
Cu4  .12008 .25650 .6848 .0109  .0124  .0107  .0097 -.0019  .0024 -.0002
S     .3875  .1979 .3165 .0104  .0100  .0080  .0130  .0016  .0015 -.0012
O1    .0937  .1313 .4180  .008   .003   .008   .013   .001   .004   .003
O2    .0821  .1335 .9180  .012   .011   .013   .009  -.001  -.001  -.001
O3    .1608  .3809 .4600 .0100
O4    .1551  .3822 .9480  .011   .011   .012   .010  -.001   .002  -.001
O5    .2451  .5945 .2450 .0110
O6    .3583  .4006 .8030 .0120
O7    .2787  .1451 .2610  .014   .009   .020   .014  -.002   .005  -.002
O8    .3828  .3487 .3120 .0130
O9    .4431  .1493 .1420  .014   .012   .019   .014  -.002   .007  -.005
O10   .4418  .1519 .5450  .016   .019   .020   .008   .001  -.001   .004
H1    .0299  .1224 .3510  .009
H2    .0032  .1668 .8464  .013
H3    .1065  .4379 .3980  .011
H4    .1005  .4526 .9185  .013
H5    .1806  .6052 .1661  .012
H6    .3494  .3160 .7781  .013