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Haiweeite |
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Plasil J, Fejfarova K, Cejka J, Dusek M, Skoda R, Sejkora J |
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American Mineralogist 98 (2013) 718-723 |
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Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O |
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Locality: Teofilo Otoni, Minas Gerais, Brazil |
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_database_code_amcsd 0019934 |
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18.3000 14.2331 17.9192 90 90 90 Pbcn |
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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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U1 .24799 .12566 .034427 .01044 .0202 .00590 .00521 .00036 -.00001 -.0003 |
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U2 .25411 .37558 .13863 .00964 .0174 .00550 .0060 .00020 .00013 -.0006 |
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Ca .01502 .8775 .13941 .0328 .0235 .0358 .0391 -.0045 .0043 -.0085 |
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Si1 .24794 .3757 -.03695 .0120 .0249 .0058 .0053 .0023 -.0043 -.001 |
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Si2 .25733 .1249 .20948 .0155 .034 .0060 .0061 -.0011 -.0019 .000 |
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Si3 .1518 .1765 .3346 .0188 .023 .0167 .016 -.0042 -.0017 .0033 |
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Si4 .2257 .3761 .33566 .0162 .0308 .0096 .0083 -.001 .0002 -.0013 |
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Si5 .6434 .0704 .1641 .0168 .024 .0146 .0116 .0015 .0011 .0015 |
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O1 .3209 .3724 -.0906 .026 |
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O2 .1575 .3700 .1472 .024 |
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O3 .1874 .1228 .2640 .025 |
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O4 .2445 .2879 .0201 .015 |
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O5 .2532 .0383 .1541 .013 |
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OH6 .0648 .1658 .3307 .033 |
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O7 .3521 .3793 .1275 .0206 |
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O8 .3295 .1240 .2613 .0233 |
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O9 .2745 .3783 .2613 .025 |
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OH10 .5547 .0806 .1601 .034 |
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O11 .2494 -.0369 .0179 .016 |
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O12 .2604 .2135 .1534 .020 |
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O13 .1708 .2849 .3323 .029 |
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O14 .2717 .3746 .4112 .026 |
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O15 .1772 .3762 -.0930 .025 |
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Wat16 .0480 1.0429 .1545 .062 |
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O17 .1672 .4632 .3355 .029 |
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Wat18 -.0796 .9273 .2290 .50 .066 |
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Wat19 -.0940 .7925 .1114 .053 |
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Wat20 .0474 .812 .0137 .50 .090 |
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Wat20' .0374 .874 .0080 .50 .090 |
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Wat21 .0531 .7134 .1513 .50 .051 |
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Wat21' .0463 .7258 .1929 .50 .051 |
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O22 .1504 .1248 .0458 .0226 |
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O23 .3452 .1270 .0257 .0226 |
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Wat24 .075 1.022 -.0745 .50 .086 |
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Wat24' .054 1.016 -.0446 .50 .086 |
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Wat25 .470 .002 .056 .50 .147 |
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Wat25' .486 -.110 .160 .50 .147 |
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Wat26 .458 -.206 .051 .50 .064 |
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Wat26' .451 -.181 .018 .50 .064 |
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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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Haiweeite |
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Burns P C |
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The Canadian Mineralogist 39 (2001) 1153-1160 |
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A new uranyl silicate sheet in the structure of haiweeite and comparison to |
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other uranyl silicates |
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_database_code_amcsd 0005732 |
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7.125 17.937 18.342 90 90 90 Cmcm |
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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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U(1) 0 .39036 1/4 .0126 .0077 .0085 .0215 0 0 0 |
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U(2) 1/2 .28612 1/4 .0149 .0089 .0091 .0266 0 0 0 |
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Si(1) 0 .2148 1/4 .0169 .0095 .0011 .0399 0 0 0 |
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Si(2) 1/2 .4608 1/4 .0230 .0069 .0093 .0527 0 0 0 |
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Si(3) .1079 .0871 .3524 .5 .0161 .0088 .0170 .0224 .0017 .0016 .0001 |
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Si(4) 0 .5858 .2744 .5 .0125 .0090 .0063 .0222 0 0 -.0007 |
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Ca(1) 0 .3887 .4850 .5 .0404 .0726 .0270 .0219 0 0 -.0033 |
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O(1) 0 .1606 .3212 .0285 .0274 .0217 .0365 0 0 .0143 |
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O(2) 1/2 .5154 .3199 .0360 .0203 .0188 .0690 0 0 -.0072 |
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O(3) .324 .4049 1/4 .0272 .0090 .0136 .0591 -.0037 0 0 |
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O(4) .177 .2703 1/4 .0258 .0079 .0123 .0573 -.0026 0 0 |
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O(5) 0 .3899 .3470 .0477 .0371 .0840 .0220 0 0 -.0177 |
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O(6) 0 .509 .274 .5 .0295 .0312 .0421 .0153 0 0 .0122 |
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O(7) 1/2 .2873 .3485 .0409 .0286 .0715 .0226 0 0 .0139 |
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O(8) 1/2 .1623 .2727 .5 .0126 |
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O(9) -.176 .5845 .3316 .5 .0285 .0098 .0339 .0417 -.0045 .0087 .0005 |
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OH(10) .083 .088 .4390 .5 .0428 .0241 .0746 .0297 .0064 .0127 -.0062 |
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Wat(11) .172 .092 .551 .25 .0633 .0686 .1108 .0105 -.0791 -.0110 .0164 |
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Wat(12) .102 .271 .453 .25 .0929 .2047 .0427 .0314 .0760 .0017 -.0155 |
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Wat(13) -.107 .520 .422 .25 .0474 .0510 .0353 .0557 -.0054 .0255 -.0166 |
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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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