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Alum-(K) |
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Nyburg S C, Steed J, Aleksovska S, Petrusevski V M |
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Acta Crystallographica B56 (2000) 204-209 |
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Structure of the alums. I. On the sulfate group disorder in the alpha-alums |
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Locality: synthetic |
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Sample: T = 296 K |
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12.1640 12.1640 12.1640 90 90 90 Pa3 |
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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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K .5 .5 .5 .0492 .0492 .0492 .0492 .0104 .0104 .0104 |
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Al 0 0 0 .0208 .0208 .0208 .0208 -.0004 -.0004 -.0004 |
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S .30764 .30764 .30764 .0265 .0265 .0265 .0265 .0037 .0034 .0037 |
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O3 .23898 .23898 .23898 .697 .0633 .0633 .0633 .0633 -.0121 -.0121 -.0121 |
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O3A .3749 .3749 .3749 .303 .0820 .082 .082 .082 -.028 -.028 -.028 |
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O4 .2648 .42078 .30973 .697 .0479 .0620 .0378 .044 .0213 .0212 .0115 |
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O4A .2853 .2042 .3643 .303 .0501 .048 .037 .066 .012 .023 .027 |
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O1 .15176 .01980 -.01855 .0308 .0237 .0385 .0303 -.0046 .0013 .0013 |
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O2 .04633 .13357 .30258 .0417 .0443 .0396 .0413 .0008 -.0050 -.0052 |
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H11 .1752 .0350 -.0683 .044 |
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H12 .198 .025 .038 .061 |
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H21 .104 .160 .299 .077 |
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H22 .008 .184 .290 .060 |
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| Download AMC data (View Text File)
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Alum-(K) |
|
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M |
|
Acta Crystallographica B56 (2000) 204-209 |
|
Structure of the alums. I. On the sulfate group disorder in the alpha-alums |
|
Locality: synthetic |
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Sample: T = 173 K |
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12.1350 12.1350 12.1350 90 90 90 Pa3 |
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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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K .5 .5 .5 .0271 .0271 .0271 .0271 .0082 .0082 .0082 |
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Al 0 0 0 .0130 .0130 .0130 .0130 .0001 .0001 .0001 |
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S .30610 .30610 .30610 .0150 .0150 .0150 .0150 .0018 .0018 .0018 |
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O3 .23606 .23606 .23606 .787 .0294 .0294 .0294 .0294 -.0038 -.0038 -.0038 |
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O3A .3746 .3746 .3746 .213 .0226 .023 .023 .023 -.007 -.007 -.007 |
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O4 .26302 .41979 .30624 .787 .0240 .0299 .0194 .0226 .0088 .0074 .0044 |
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O4A .2808 .2000 .3614 .213 .0185 .019 .016 .020 .002 .004 .009 |
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O1 .15173 .02080 -.01985 .0191 .0150 .0231 .0190 -.0021 .0007 .0014 |
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O2 .04692 .13071 .30399 .0232 .0233 .0227 .0235 .0007 .0022 -.0011 |
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H11 .1750 .0365 -.0726 .034 |
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H12 .1982 .0262 .034 .048 |
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H21 .104 .155 .3000 .044 |
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H22 .0009 .1821 .2914 .042 |
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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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