Piypite
Kahlenberg V, Piotrowski A, Giester G
Mineralogical Magazine 64 (2000) 1099-1108
Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic
Na-analogue of piypite (caratiite)
Locality; synthetic
_database_code_amcsd 0014554
18.451 18.451 4.9520 90 90 90 *P4/n
.25 -.25 0
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .60386 .27820 .01600     .0301  .0195  .0254  .0453  .0045  .0008  .0004
Na2   .10444 .27925  .4694     .0306  .0197  .0291  .0431  .0067  .0002 -.0084
Cu1   .05189 .05935 .47175     .0124  .0148  .0145  .0080 -.0028  .0003  .0003
Cu2   .55123 .05974 .97817     .0129  .0151  .0146  .0091 -.0028  .0001  .0009
S1    .41831 .34183  .9690     .0134  .0154  .0132  .0117 -.0020 -.0020  .0009
O2     .3927  .4008  .1495     .0209  .0204  .0283  .0138 -.0011 -.0014 -.0073
O4     .4008  .3621  .6823     .0186  .0234  .0219  .0104 -.0066 -.0026  .0009
O7     .1661  .4967  .9976     .0265  .0247  .0152  .0397 -.0039  .0041 -.0066
O9     .2253  .3799  .0261     .0284  .0209  .0333  .0309  .0126 -.0106 -.0073
S2    .91906 .34094  .4896     .0134  .0154  .0135  .0114 -.0026  .0006  .0002
O3     .6015  .3911  .3315     .0216  .0288  .0197  .0161 -.0008 -.0092  .0018
O5     .9040  .3615  .2015     .0233  .0313  .0271  .0114 -.0102 -.0022  .0013
O6     .6651  .4972  .4698     .0238  .0247  .0164  .0303 -.0038  .0005 -.0004
O8     .7273  .3819  .4617     .0263  .0169  .0324  .0297  .0078  .0058  .0003
O1     .4996  .5088  .2501     .0131  .0142  .0180  .0073 -.0012 -.0006 -.0001
NaMe1    .75    .25     .5 .26 .0328  .0415  .0415  .0153      0      0      0
CuMe1    .75    .25     .5 .37 .0328  .0415  .0415  .0153      0      0      0
NaMe2    .25    .25  .0043 .26 .0325  .0404  .0404  .0166      0      0      0
CuMe2    .25    .25  .0043 .37 .0325  .0404  .0404  .0166      0      0      0
Cl1      .75    .25      0     .0300  .0173  .0173  .0554      0      0      0
Cl2      .25    .25  .5068     .0301  .0174  .0174  .0556      0      0      0