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Giacovazzoite |
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Biagioni C, Bindi L, Mauro D, Pasero M |
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Physics and Chemistry of Minerals 47 (2020) 7 |
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Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). |
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IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the �-Maus's salt |
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and its dehydration product |
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Note: T = 100 K |
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Locality: the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy |
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_database_code_amcsd 0020910 |
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9.4480 18.3183 17.9825 90 92.274 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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K1 .54415 .15573 .24416 .01300 .0140 .0119 .0130 -.0008 -.0005 -.0003 |
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K2 .63785 .22595 .03564 .01687 .0195 .0104 .0202 -.0009 -.0054 .0010 |
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K3 .26611 .10184 .04798 .01583 .0197 .0110 .0167 -.0018 -.0005 -.0025 |
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K4 .12505 .20433 .27235 .01689 .0143 .0103 .0258 .0028 -.0028 .0006 |
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K5 .32617 .11271 .44081 .01598 .0211 .0116 .0153 .0010 .0016 .0021 |
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Fe1 .31621 .41663 .25801 .00789 .0090 .00540 .00925 .00017 -.00064 -.00021 |
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Fe2 .63609 .40773 .34320 .00819 .0090 .00558 .00984 .00021 -.00081 .00020 |
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Fe3 .59944 .39646 .15778 .00847 .0094 .00609 .00986 .00054 -.00017 -.00016 |
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S1 .39126 .52165 .39297 .00851 .0098 .0056 .0100 .0002 -.0005 -.0008 |
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S2 .39806 .29491 .38371 .00901 .0104 .0058 .0107 -.0004 -.0006 .0011 |
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S3 .78161 .52346 .24106 .00932 .0101 .0058 .0120 -.0006 -.0003 .0002 |
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S4 .81673 .29379 .24349 .00920 .0094 .0061 .0120 .0007 -.0003 .0003 |
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S5 .36450 .51371 .10715 .00941 .0118 .0066 .0098 .0011 -.0011 .0004 |
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S6 .31440 .29483 .12870 .00908 .0100 .0061 .0109 .0006 -.0019 -.0014 |
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O1 .3331 .51081 .31504 .0106 .0128 .0083 .0106 .0011 -.0018 -.0017 |
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O2 .5094 .46856 .40712 .0120 .0126 .0109 .0124 .0015 -.0011 -.0007 |
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O3 .2797 .50662 .44520 .0124 .0149 .0094 .0131 -.0007 .0009 -.0011 |
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O4 .4442 .59605 .40020 .0133 .0159 .0077 .0160 -.0029 -.0019 -.0007 |
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O5 .3076 .35512 .35081 .0108 .0127 .0081 .0116 .0025 .0005 .0010 |
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O6 .5500 .31631 .37780 .0136 .0095 .0098 .0215 .0000 -.0003 .0061 |
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O7 .3680 .28700 .46209 .0145 .0183 .0140 .0114 .0000 .0005 .0037 |
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O8 .3743 .22766 .34214 .0146 .0191 .0062 .0181 .0001 -.0037 -.0019 |
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O9 .7352 .50089 .31633 .0124 .0180 .0078 .0116 -.0034 .0023 -.0003 |
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O10 .7679 .45952 .18991 .0104 .0111 .0068 .0131 -.0005 -.0005 -.0016 |
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O11 .9320 .54472 .24815 .0122 .0117 .0085 .0163 -.0014 -.0010 .0002 |
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O12 .6962 .58470 .21386 .0128 .0142 .0067 .0172 .0011 -.0028 .0003 |
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O13 .7938 .34690 .30513 .0128 .0121 .0127 .0136 .0024 .0006 -.0033 |
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O14 .6979 .30248 .18645 .0119 .0119 .0084 .0152 .0017 -.0021 -.0005 |
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O15 .9524 .31061 .21054 .0126 .0105 .0096 .0178 .0005 .0012 -.0006 |
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O16 .8143 .21918 .27127 .0140 .0165 .0059 .0194 -.0004 -.0012 .0032 |
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O17 .5112 .48214 .10742 .0134 .0127 .0136 .0142 .0025 .0027 .0056 |
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O18 .2841 .47660 .16563 .0130 .0122 .0144 .0124 .0006 .0005 .0012 |
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O19 .2937 .50093 .03541 .0132 .0170 .0114 .0109 -.0024 -.0022 .0004 |
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O20 .3787 .59139 .12256 .0165 .0227 .0073 .0193 .0000 -.0025 -.0014 |
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O21 .4500 .33140 .10840 .0146 .0116 .0181 .0142 -.0031 .0020 -.0050 |
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O22 .2710 .32571 .20116 .0115 .0134 .0091 .0123 -.0026 .0016 -.0038 |
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O23 .2070 .31122 .07069 .0140 .0131 .0139 .0147 .0031 -.0039 -.0019 |
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O24 .3376 .21723 .13912 .0176 .0297 .0078 .0151 .0030 -.0022 -.0014 |
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O25 .5174 .40817 .25241 .0097 .0102 .0091 .0097 .0014 -.0016 .0007 |
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OW26 .0990 .42464 .27070 .0113 .0092 .0085 .0161 .0006 -.0004 -.0008 |
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OW27 .7620 .40300 .43961 .0130 .0140 .0114 .0133 .0018 -.0023 -.0024 |
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OW28 .7038 .38409 .05968 .0127 .0138 .0127 .0117 .0010 .0012 .0016 |
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OW29 -.0024 .0701 .1013 .0388 .031 .053 .0310 -.0108 -.0090 .0135 |
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OW30 .9195 .2133 .0743 .0414 .038 .037 .048 .0012 -.0072 -.0034 |
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OW31 .9775 .40551 .05600 .0163 .0126 .0151 .0212 .0018 .0008 .0031 |
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OW32 .9556 .55378 .08561 .0210 .0245 .0181 .0208 .0013 .0054 -.0002 |
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OW33 .9251 .72919 .07272 .0196 .0172 .0197 .0219 .0009 -.0009 -.0006 |
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OW34 .9614 .88056 .06621 .0172 .0156 .0149 .0214 -.0024 .0043 -.0046 |
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OW35 .7890 .20698 .42857 .0180 .0186 .0176 .0177 -.0043 -.0016 .0050 |
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H261 .049 .387 .246 .05 |
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H262 .057 .463 .244 .06 |
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H271 .751 .438 .478 .07 |
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H272 .861 .403 .433 .05 |
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H281 .804 .384 .059 .022 |
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H282 .717 .427 .032 .06 |
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H291 -.009 .065 .1543 .06 |
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H292 -.088 .052 .075 .08 |
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H311 .055 .381 .076 .015 |
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H321 .024 .565 .051 .06 |
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H322 .023 .564 .124 .027 |
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H331 .882 .732 .0248 .046 |
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H332 .020 .719 .060 .024 |
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H341 .970 .8296 .069 .07 |
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H342 .926 .904 .107 .037 |
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H351 .795 .225 .3796 .036 |
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H352 .715 .173 .430 .11 |
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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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Giacovazzoite |
| |
Biagioni C, Bindi L, Mauro D, Pasero M |
| |
Physics and Chemistry of Minerals 47 (2020) 7 |
|
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). |
|
IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt |
|
and its dehydration product |
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Note: this is the dehydration product |
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Locality: the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy |
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_database_code_amcsd 0020911 |
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9.3434 18.1838 17.7702 90 96.3810 90 P2_1/c |
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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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K1 .55650 .84207 .76151 .0365 .0339 .0347 .0433 .0113 .0151 .0094 |
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K2 .27207 .90066 .55594 .0395 .0426 .0291 .0439 -.0001 -.0084 -.0007 |
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K3 -.02767 .58115 .58788 .0450 .0292 .0601 .0461 -.0003 .0063 -.0059 |
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K4 .11402 .79981 .76534 .03553 .0312 .0294 .0468 -.0093 .0082 -.0090 |
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K5 .64975 .36493 .54456 .0381 .0571 .0343 .0229 -.0071 .0045 .0050 |
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Fe1 .56907 .61233 .65050 .01664 .0164 .0179 .0161 -.00180 .00401 .00019 |
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Fe2 .63071 .57991 .83765 .01672 .0164 .0168 .0170 .00009 .00195 -.00016 |
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Fe3 .29839 .57544 .75005 .01542 .0147 .01621 .0157 -.00046 .00309 .00102 |
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S1 .80510 .70179 .75223 .01870 .0145 .0162 .0255 -.0008 .0030 -.0008 |
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S2 .75928 .47444 .71903 .01904 .0174 .0149 .0251 .0003 .0038 -.0033 |
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S3 .39696 .69216 .88385 .01937 .0234 .0164 .0187 .0015 .0045 -.0030 |
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S4 .38529 .46467 .88228 .01936 .0203 .0182 .0199 -.0005 .0037 .0046 |
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S5 .27470 .70938 .62761 .02076 .0214 .0193 .0220 .0035 .0045 .0064 |
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S6 .32355 .49373 .58553 .01990 .0241 .0189 .0168 -.0032 .0026 -.0029 |
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O1 .6737 .70170 .69662 .0214 .0218 .0173 .0242 -.0008 -.0015 .0016 |
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O2 .7891 .64201 .80783 .0249 .0210 .0272 .0261 -.0032 .0003 .0045 |
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O3 .9317 .68510 .71410 .0275 .0193 .0259 .0391 .0018 .0106 .0036 |
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O4 .8171 .77248 .78935 .0314 .0260 .0224 .0444 .0004 -.0022 -.0099 |
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O5 .7376 .54268 .67220 .0208 .0195 .0183 .0256 .0006 .0066 .0002 |
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O6 .7237 .49055 .79691 .0297 .0445 .0216 .0232 .0115 .0043 .0003 |
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O7 .6691 .41538 .68744 .0303 .0336 .0226 .0341 -.0119 .0008 -.0030 |
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O8 .9108 .45447 .72189 .0352 .0192 .0259 .0602 .0038 .0030 -.0037 |
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O9 .5504 .66726 .88537 .0279 .0185 .0275 .0370 .0010 .0006 -.0129 |
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O10 .3026 .63321 .84662 .0211 .0224 .0208 .0206 -.0021 .0051 -.0036 |
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O11 .3635 .70198 .96052 .0334 .0406 .0391 .0220 -.0001 .0101 -.0093 |
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O12 .3793 .75932 .84056 .0332 .0431 .0192 .0359 -.0005 -.0020 .0050 |
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O13 .5137 .51325 .89751 .0248 .0224 .0294 .0218 -.0070 -.0011 .0061 |
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O14 .3221 .47805 .80257 .0212 .0244 .0171 .0212 -.0028 -.0008 .0038 |
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O15 .2803 .48320 .93375 .0305 .0284 .0393 .0257 .0029 .0122 .0074 |
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O16 .4316 .38846 .88853 .0318 .0381 .0198 .0364 .0029 -.0016 .0080 |
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O17 .2347 .66591 .69347 .0270 .0251 .0277 .0299 .0054 .0105 .0136 |
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O18 .4184 .68387 .60981 .0277 .0198 .0364 .0272 .0069 .0046 .0121 |
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O19 .2820 .78540 .64863 .0500 .082 .0196 .0551 .0017 .0374 .0037 |
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O20 .1701 .69439 .56290 .0452 .0272 .079 .0271 .0015 -.0061 .0088 |
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O21 .2578 .51420 .65486 .0292 .0281 .0380 .0223 -.0105 .0062 -.0099 |
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O22 .4591 .53696 .58388 .0281 .0297 .0328 .0225 -.0142 .0060 -.0072 |
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O23 .2229 .51228 .51982 .0309 .0317 .0381 .0214 -.0014 -.0038 .0009 |
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O24 .3585 .41604 .58644 .0336 .0439 .0199 .0370 -.0021 .0037 -.0016 |
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O25 .4997 .58791 .74460 .0162 .0143 .0181 .0165 -.0015 .0035 .0018 |
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OW26 .6759 .64076 .55703 .0257 .0340 .0219 .0232 -.0041 .0123 -.0013 |
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OW27 .7768 .56492 .93241 .0277 .0212 .0431 .0179 -.0042 -.0013 .0071 |
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OW28 .0845 .56524 .76442 .0268 .0137 .0225 .0442 -.0005 .0035 .0029 |
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OW29 .7107 .78216 .52828 .0414 .055 .0319 .0369 .0033 .0046 .0060 |
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OW30 .0527 .6041 .93631 .0638 .0278 .124 .0393 -.0100 .0016 .0071 |
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O31A .0425 .7304 .4176 .741 .0895 .062 .158 .046 .009 -.008 .018 |
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O31B .0040 .6413 .4145 .259 .0895 .062 .158 .046 .009 -.008 .018 |
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OW32 -.0202 .8660 .6190 .520 .085 .055 .117 .081 .011 .006 .011 |
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H261 .682 .6917 .549 .094 |
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H262 .668 .620 .5087 .078 |
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H271 .870 .587 .933 .076 |
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H272 .756 .552 .9809 .073 |
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H281 .028 .5248 .755 .080 |
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H282 .012 .598 .757 .073 |
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H291 .658 .805 .563 .082 |
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H292 .676 .794 .4791 .080 |
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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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Giacovazzoite |
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Mereiter K, Vollenkle H |
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Acta Crystallographica B34 (1978) 378-384 |
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Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato- |
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triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des |
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Masschen Salzes |
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Locality: synthetic |
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_database_code_amcsd 0019784 |
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9.491 18.474 18.109 90 92.38 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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K1 .54292 .15530 .24569 .0285 .0360 .0244 -.0051 .0002 .0003 |
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K2 .63730 .22467 .03809 .0394 .0307 .0434 -.0011 -.0044 .0022 |
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K3 .27069 .10196 .04945 .0368 .0319 .0356 -.0026 -.0014 -.0058 |
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K4 .12321 .20390 .27225 .0363 .0321 .0708 .0119 -.0155 -.0026 |
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K5 .32772 .11218 .44202 .0513 .0339 .0310 .0033 .0082 .0067 |
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Fe1 .31502 .41637 .25680 .0123 .0138 .0108 .0008 -.0003 -.0009 |
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Fe2 .63302 .40832 .34178 .0125 .0147 .0116 .0005 -.0008 -.0004 |
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Fe3 .59817 .39747 .15754 .0136 .0164 .0111 .0014 -.0001 -.0003 |
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S1 .38938 .52069 .39218 .0177 .0146 .0135 .0004 -.0002 -.0032 |
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S2 .39733 .29594 .38248 .0176 .0142 .0164 -.0014 .0004 .0035 |
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S3 .77980 .52338 .24094 .0162 .0145 .0192 -.0015 .0002 -.0009 |
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S4 .81386 .29505 .24462 .0131 .0166 .0183 .0013 -.0001 .0006 |
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S5 .36347 .51355 .10713 .0194 .0170 .0149 .0028 -.0026 .0014 |
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S6 .31755 .29533 .12788 .0183 .0154 .0160 .0007 -.0025 -.0037 |
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O1 .3285 .5085 .3160 .0272 .0160 .0136 .0040 -.0066 -.0031 |
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O2 .5077 .4688 .4052 .0187 .0292 .0145 .0052 .0000 -.0055 |
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O3 .2825 .5064 .4456 .0216 .0290 .0178 -.0003 .0043 -.0029 |
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O4 .4414 .5941 .3977 .0354 .0166 .0278 -.0045 -.0046 -.0024 |
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O5 .3059 .3545 .3486 .0208 .0189 .0147 .0025 .0023 .0043 |
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O6 .5477 .3170 .3754 .0187 .0248 .0369 .0014 .0004 .0163 |
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O7 .3698 .2900 .4601 .0335 .0481 .0163 .0062 .0038 .0094 |
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O8 .3737 .2282 .3436 .0398 .0173 .0385 .0023 -.0085 -.0063 |
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O9 .7305 .5007 .3149 .0340 .0242 .0178 -.0122 .0066 -.0026 |
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O10 .7646 .4613 .1893 .0189 .0208 .0199 -.0015 .0030 -.0026 |
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O11 .9297 .5423 .2490 .0197 .0280 .0297 -.0033 -.0020 -.0012 |
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O12 .6989 .5852 .2148 .0242 .022 .0371 .0019 .0010 .0017 |
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O13 .7914 .3482 .3047 .0176 .0271 .0163 .0053 -.0029 -.0028 |
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O14 .6980 .3045 .1866 .0212 .0171 .0242 .0041 -.0079 -.0030 |
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O15 .9500 .3100 .2138 .0167 .0297 .0327 -.0001 .0029 -.0046 |
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O16 .8067 .2217 .2720 .0359 .0206 .0348 .0033 -.0030 .0007 |
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O17 .5076 .4815 .1064 .0228 .0375 .0281 .0084 .0088 .0129 |
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O18 .2849 .4779 .1659 .0229 .0405 .0196 .0045 -.0001 .0106 |
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O19 .2903 .5008 .0365 .0383 .0332 .0146 -.0035 -.0056 -.0014 |
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O20 .3795 .5897 .1220 .0474 .0221 .0441 .0040 -.0144 -.0040 |
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O21 .4503 .3320 .1080 .0188 .0529 .0244 -.0084 .0026 -.0178 |
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O22 .2719 .3266 .1990 .0274 .0237 .0194 -.0060 .0028 -.0107 |
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O23 .2119 .3101 .0696 .0222 .0436 .0226 .0039 -.0109 -.0053 |
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O24 .3430 .2191 .1387 .0767 .0207 .0291 .0097 -.0073 -.0073 |
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O25 .5153 .4089 .2513 .0132 .0194 .0113 .0030 .0000 -.0006 |
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O26 .1000 .4241 .2677 .0110 .0243 .0344 .0005 -.0023 .0012 |
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O27 .7591 .4042 .4382 .0253 .0410 .0153 .0082 -.0033 -.0081 |
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O28 .7053 .3854 .0605 .0278 .0266 .0158 .0043 .0049 .0039 |
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O29 .0033 .0688 .0992 .0573 .1369 .0725 -.0167 -.0219 .0473 |
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O30 .9186 .2125 .0773 .0948 .0931 .1040 .0137 -.0194 -.0393 |
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O31 .9814 .4050 .0607 .0330 .0362 .0711 .0063 .0049 .0043 |
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O32 .9607 .5567 .0865 .0777 .0809 .0532 -.0048 .0212 .0128 |
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O33 .9283 .7310 .0725 .0451 .0730 .0560 .0118 -.0019 -.0129 |
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O34 .9627 .8835 .0670 .0278 .0552 .0463 -.0032 .0069 .0010 |
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O35 .7819 .2085 .4299 .0443 .0437 .0351 -.0214 -.0066 .0133 |
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H1 .051 .458 .259 .0507 |
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H2 .059 .387 .249 .0507 |
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H3 .741 .436 .473 .0507 |
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H4 .855 .400 .431 .0507 |
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H5 .708 .422 .040 .0507 |
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H6 .818 .376 .061 .0507 |
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H7 -.08 .042 .081 .076 |
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H8 .024 .050 .151 .076 |
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H9 .923 .242 .120 .076 |
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H10 .948 .163 .089 .076 |
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H11 .057 .373 .083 .076 |
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H12 -.001 .440 .073 .076 |
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H13 .002 .579 .135 .076 |
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H14 .990 .588 .055 .076 |
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H15 .895 .735 .021 .076 |
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H16 .022 .717 .071 .076 |
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H17 .918 .902 .099 .076 |
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H18 .947 .831 .072 .076 |
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H19 .787 .229 .388 .076 |
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H20 .749 .171 .422 .001 |
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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)
|
| |
