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Alum-(K) |
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Biagioni C, Mauro D, Pasero M, Bonaccorsi E, Lepore G O, Zaccarini F, Skogby H |
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American Mineralogist 105 (2020) 1088-1098 |
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Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). |
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VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex |
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Locality: Fornovolasco mine, Apuan Alps, Italy |
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_database_code_amcsd 0020896 |
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12.2030 12.2030 12.2030 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 .879 .0526 .0526 .0526 .0526 .0109 .0109 .0109 |
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Tl .5 .5 .5 .121 .0526 .0526 .0526 .0526 .0109 .0109 .0109 |
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Al 0 0 0 .877 .0178 .0178 .0178 .0178 -.0003 -.0003 -.0003 |
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Fe 0 0 0 .123 .0178 .0178 .0178 .0178 -.0003 -.0003 -.0003 |
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S .30852 .30852 .30852 .0225 .0225 .0225 .0225 .00388 .00388 .00388 |
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OW1 .15320 .01817 -.01744 .0256 .0182 .0325 .0260 -.0042 .0004 .0012 |
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H11 .205 .028 .041 .066 |
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H12 .187 .044 -.083 .068 |
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OW2 .04621 .13636 .30100 .0374 .0406 .0339 .0376 .0026 -.0070 -.0069 |
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H21 -.002 .195 .291 .069 |
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H22 .115 .168 .300 .100 |
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O3 .2403 .2403 .2403 .770 .0658 .0658 .0658 .0658 -.0165 -.0165 -.0165 |
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O4 .2652 .4209 .3115 .770 .0461 .0638 .0326 .0420 .0250 .0283 .0141 |
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O3A .3761 .3761 .3761 .230 .0658 .0658 .0658 .0658 -.0165 -.0165 -.0165 |
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O4A .2873 .2041 .3646 .230 .0461 .0638 .0326 .0420 .0250 .0283 .0141 |
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View JMOL 3-D Structure (permalink) |
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Alum-(K) |
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Larson A C, Cromer D T |
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Acta Crystallographica 22 (1967) 793-800 |
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Refinement of the alum structures. III. X-ray study of the a alums, |
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K, Rb and NH4Al(SO4)2*12H2O |
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Locality: Synthetic |
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_database_code_amcsd 0019046 |
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12.157 12.157 12.157 90 90 90 Pa3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .5 .5 .5 .70 2.6 |
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K' .485 .485 .485 .30 2.9 |
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Al 0 0 0 .0023 .0023 .0023 .0014 .0014 .0014 |
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S .3075 .3075 .3075 .0029 .0029 .0029 .0003 .0003 .0003 |
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O(1) .2388 .2388 .2388 .70 .0096 .0096 .0096 -.0028 -.0028 -.0028 |
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O(1)' .3729 .3729 .3729 .30 6.3 |
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O(2) .3105 .2648 .4228 .70 .0071 .0057 .0031 .0036 -.0004 .0044 |
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O(2)' .2038 .3736 .2901 .30 3.2 |
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Wat(1) .0465 .1353 .3007 .0048 .0035 .0025 .0002 .0009 -.0005 |
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Wat(2) .0206 -.0190 .1544 .0022 .0040 .0017 .0004 .0004 -.0006 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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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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_database_code_amcsd 0009911 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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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 = 173 K |
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_database_code_amcsd 0009912 |
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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 (permalink) |
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