American Mineralogist Crystal Structure Database

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Chvilevaite
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Kaplunnik L N, Petrova I V, Pobedimskaya E A, Kachalovskaya V M, Osipov B S
 
Soviet Physics Doklady 35 (1990) 6-8
Crystal structure of natural alkaline sulfide, chvilevaite, Na(Cu,Fe,Zn)2S2
Locality: Lake Baikal region, Russia
_database_code_amcsd 0015619
3.873 3.873 6.848 90 90 120 P3m1
atom    x   y     z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2) B(1,3) B(2,3)
Na    1/3 2/3  .738      .70 .015555 .015555 .001706 .007778      0      0
CuM1  2/3 1/3 .1094 .67 1.33 .029555 .029555 .008743 .014778      0      0
FeM1  2/3 1/3 .1094 .22 1.33 .029555 .029555 .008743 .014778      0      0
ZnM1  2/3 1/3 .1094 .11 1.33 .029555 .029555 .008743 .014778      0      0
CuM2    0   0 .3557 .67  .83 .018444 .018444 .005278 .009222      0      0
FeM2    0   0 .3557 .22  .83 .018444 .018444 .005278 .009222      0      0
ZnM2    0   0 .3557 .11  .83 .018444 .018444 .005278 .009222      0      0
S1      0   0     0      .50 .011111 .011111 .002772 .005556      0      0
S2    2/3 1/3 .4629     1.12 .026444 .026444 .007037 .013222      0      0
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