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Tschortnerite |
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Effenberger H, Giester G, Krause W, Bernhardt H J |
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American Mineralogist 83 (1998) 607-617 |
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Tschortnerite, a copper-bearing zeolite from the Bellberg volcano, Eifel, |
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Germany |
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_database_code_amcsd 0002008 |
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31.62 31.62 31.62 90 90 90 Fm3m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .09965 .09965 .09965 .0259 .0259 .0259 .0021 .0021 .0021 |
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Ca2 .20984 .20984 .20984 .0156 .0156 .0156 -.0011 -.0011 -.0011 |
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CaM .17945 .27909 0 .27 .0384 .0407 .0229 -.0110 0 0 |
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SrM .17945 .27909 0 .18 .0384 .0407 .0229 -.0110 0 0 |
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KM .17945 .27909 0 .12 .0384 .0407 .0229 -.0110 0 0 |
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BaM .17945 .27909 0 .05 .0384 .0407 .0229 -.0110 0 0 |
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Cu .07339 .07339 0 .0308 .0308 .0263 -.0013 0 0 |
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Si1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016 |
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Al1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016 |
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Si2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008 |
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Al2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008 |
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Ot1 .06740 .15559 .23003 .0174 .0212 .0188 -.0022 .0002 -.0026 |
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Ot2 .21169 .21169 .13239 .0200 .0200 .0123 -.0002 -.0001 -.0001 |
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Ot3 .21022 .21022 .40798 .0164 .0164 .0174 .0039 -.0014 -.0014 |
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Ot4 .14640 .14640 .26611 .0254 .0254 .0147 .0051 .0000 .0000 |
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Ot5 .14402 .14402 .05687 .0180 .0180 .0430 -.0012 -.0017 -.0017 |
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Ot6 .07720 .07720 .19159 .0190 .0190 .0385 .0064 -.0046 -.0046 |
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Ot7 .11259 .20286 0 .0310 .0366 .0105 -.0048 0 0 |
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OH1 .04506 .04506 .10539 .0256 .0256 .0308 .0022 -.0005 -.0005 |
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OH2 .28335 .28335 .28335 .0164 .0164 .0164 .0002 .0002 .0002 |
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ClX 0 0 0 .224 .011 |
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Wat1 .041 0 0 .181 .068 |
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Wat2 .0262 .0262 .0262 .243 .050 |
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WatD6 .1467 .1467 .1467 .123 |
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Wat8 .0159 .1842 0 .305 .111 |
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WatD8 .2087 .2339 0 .5 .047 |
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WatT1 .0085 .1316 .3048 .220 .132 |
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WatT2 .3599 .3599 .3599 .072 |
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WatT3 .0336 .0336 .2642 .195 .10 |
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WatT4 .0714 .0888 .3105 .189 .10 |
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WatT5 .0514 .1204 .3298 .400 .213 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
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