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Na2Si2O5 |
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Rakic S, Kahlenberg V, Weidenthaler C, Zibrowius B |
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Physics and Chemistry of Minerals 29 (2002) 477-484 |
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Structural characterization of high-pressure C-Na2Si2O5 |
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by single-crystal diffraction and 29Si MAS NMR |
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_database_code_amcsd 0008657 |
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4.8521 23.9793 8.1410 90 90.15 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .2299 .26138 .5247 .0244 .0240 .0246 .0247 .0009 .0008 .0049 |
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Na2 .2743 .51408 .3548 .0215 .0215 .0208 .0221 .0001 .0015 .0024 |
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Na3 .2534 .47281 -.1019 .0225 .0219 .0248 .0208 .0018 .0002 .0031 |
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Na4 .7548 .28108 .2783 .0229 .0211 .0266 .0209 .0006 .0005 .0027 |
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Si1 .2961 .36325 .1966 .0146 .0136 .0166 .0135 .0002 .0012 .0002 |
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Si2 .6843 .34077 .6429 .0145 .0134 .0156 .0145 .0002 .0001 .0000 |
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Si3 .1831 .40821 .5373 .0145 .0132 .0156 .0147 .0002 .0008 .0003 |
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Si4 .7948 .38941 -.0185 .0152 .0135 .0183 .0137 .0001 .0002 .0003 |
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O1 .1210 .3844 .0352 .0195 .0165 .0243 .0176 .0006 .0010 .0021 |
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O2 .2339 .3015 .2523 .0199 .0196 .0195 .0206 .0007 .0002 .0018 |
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O3 .6209 .3690 .1429 .0184 .0172 .0221 .0159 .0002 .0011 .0006 |
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O4 .2440 .4105 .3392 .0182 .0204 .0182 .0159 .0002 .0022 .0002 |
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O5 .7431 .3414 -.1590 .0192 .0220 .0189 .0166 .0005 .0006 .0015 |
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O6 .7456 .2819 .5655 .0184 .0194 .0179 .0179 .0001 .0002 .0002 |
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O7 .3573 .3561 .6162 .0182 .0160 .0187 .0199 .0004 .0001 .0020 |
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O8 -.1423 .3920 .5597 .0180 .0189 .0172 .0180 .0004 .0011 .0012 |
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O9 .2452 .4667 .6166 .0183 .0196 .0203 .0149 .0004 .0002 .0005 |
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O10 .7336 .4511 -.0767 .0195 .0198 .0192 .0195 .0022 .0002 .0006 |
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Orschallite |
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Weidenthaler C, Tillmanns E, Hentschel G |
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Mineralogy and Petrology 48 (1993) 167-177 |
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Orschallite, Ca3(SO3)2SO4*12H2O, a new |
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calcium-sulfite-sulfate-hydrate mineral |
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Locality: Hannebacher Ley, Hannebach, Eifel, Germany |
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_database_code_amcsd 0014633 |
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11.350 11.350 28.321 90 90 120 R-3c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .79664 0 .25 1.52 .0178 .0221 .0193 .0111 -.0003 -.0006 |
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S1 0 0 .17258 1.48 .0202 .0202 .0157 .0101 0 0 |
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S2 0 0 0 1.71 .0179 .0179 .0294 .0090 0 0 |
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O1 .66707 .21142 .13729 1.87 .0277 .0190 .0274 .0139 -.0002 .0005 |
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Wat2 .66070 .99654 .18561 3.40 .0418 .0278 .0546 .0109 -.0252 .0047 |
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Wat3 .05881 .48933 .57787 2.90 .0302 .0402 .0406 .0181 -.0002 -.0007 |
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O4 0 0 .54872 .5 2.11 .0269 .0269 .0264 .0135 0 0 |
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O5 .08455 .13857 .02043 .5 2.53 .0255 .0209 .0404 .0044 -.0077 -.0057 |
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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
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