Piypite
Effenberger H, Zemann J
Mineralogical Magazine 48 (1984) 541-546
The crystal structure of caratiite
Locality: Mount Vesuvius, Naples, Italy
_database_code_amcsd 0014478
13.60 13.60 4.98 90 90 90 I4
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K .1905 .1279 -.0379 1.92 .0019 .0030 .0222 .0002 .0005 .0015
Cu2+ .05627 .40789 0 1.12 .0015 .0015 .0116 .0002 -.0001 .0003
O 0 .5 .7572 1.11 .0017 .0016 .0093 -.0001 0 0
S .4426 .2347 -.0179 1.14 .0019 .0012 .0118 .0002 -.0003 .0008
O1 .4230 .2103 .2705 1.99 .0044 .0019 .0133 .0005 .0005 .0003
O2 .3807 .1706 -.1884 2.12 .0018 .0036 .0246 -.0001 .0005 -.0040
O3 .5456 .2157 -.0778 2.03 .0018 .0018 .0354 .0001 .0004 .0008
O4 .4158 .3369 -.0531 2.52 .0041 .0015 .0346 .0011 .0004 .0025
Cu1+Me 0 0 .4482 .5 2.85 .0045 .0045 .0188 0 0 0
Cl 0 0 -.0513 3.15 .0026 .0026 .0579 0 0 0
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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
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