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Billietite |
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Pagoaga M K, Appleman D E, Stewart J M |
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American Mineralogist 72 (1987) 1230-1238 |
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Crystal structures and crystal chemistry of the uranyl oxide hydrates |
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becquerelite, billietite, and protasite |
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Note: y-coordinate of O601u atom changed to make calculated bond lengths |
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match those published |
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Locality: Shinkolobwe mine, Shaba, Zaire |
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_database_code_amcsd 0001133 |
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12.0720 30.167 7.1455 90 90 90 Pbn2_1 |
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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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U1 .44426 .25322 .0045 .0044 .0023 .0030 .0011 -.0004 .0011 |
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U2 .25251 .26419 .4376 .0064 .0039 .0051 -.0006 .0023 .0001 |
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U3 .06112 .25716 .0075 .0057 .0019 .0029 -.0002 -.0011 -.0018 |
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U4 .43954 -.00465 -.0141 .0058 .0059 .0039 .0006 -.0001 -.0003 |
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U5 .06074 -.00560 -.0081 .0053 .0062 .0034 -.0001 -.0007 .0003 |
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U6 .25071 -.01161 .5291 .0044 .0039 .0067 .0001 .0009 .0006 |
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Ba .3628 .12391 -.3120 .0133 .0113 .0161 -.0006 .0006 .0019 |
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O101u .468 .3084 .026 .006 |
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O102u .416 .1949 -.004 .006 |
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O201u .255 .3248 .423 .006 |
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O202u .255 .2046 .460 .006 |
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O301u .031 .3116 .023 .006 |
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O302u .075 .1997 -.007 .006 |
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O401u .387 .0519 -.031 .006 |
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O402u .494 -.0633 -.021 .006 |
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O501u .109 .0504 .041 .006 |
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O502u .014 -.0626 -.050 .006 |
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O601u .258 .0449 .438 .006 |
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O602u .240 -.0672 .561 .006 |
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O1h .391 .2682 .703 .01 |
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O2o .411 .2520 .349 .004 |
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O3o .095 .2479 .309 .004 |
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O4h .118 .2698 .691 .01 |
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O5h .270 .2571 .017 .01 |
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O11o .418 -.0144 .676 .004 |
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O12h .394 -.0268 .326 .01 |
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O13h .104 -.0275 .326 .01 |
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O14o .090 -.0051 .695 .004 |
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O15h .252 -.0259 -.082 .01 |
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O16w .230 .1221 -.008 .007 |
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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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Billietite |
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Finch R J, Burns P C, Hawthorne F C, Ewing R C |
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The Canadian Mineralogist 44 (2006) 1197-1205 |
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Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8 |
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Locality: Shaba, Democratic Republic of Congo |
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_database_code_amcsd 0006120 |
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12.0941 30.211 7.1563 90 90 90 Pbn2_1 |
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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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Ba .63786 .87627 .3155 .0206 .0185 .0213 .0220 -.0011 .0003 .0005 |
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U1 .55842 .74671 .00092 .0110 .0093 .0153 .0084 -.0003 -.0001 -.0001 |
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U2 .74723 .73833 .5391 .0116 .0079 .0154 .0115 -.0001 -.0005 .0006 |
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U3 .93753 .74265 .99884 .0108 .0083 .0156 .0085 .0006 -.0001 -.0005 |
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U4 .55865 .00466 .01958 .0113 .0091 .0172 .0076 -.0004 -.0005 -.0004 |
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U5 .94118 .00557 .01401 .0115 .0093 .0173 .0079 .0003 .0004 -.0005 |
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U6 .74929 .01411 .4481 .0113 .0067 .0166 .0104 .0002 .0000 -.0006 |
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O1 .5213 .6903 .952 .0200 |
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O2 .5990 .8024 .058 .0176 |
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O3 .7431 .6804 .599 .0183 |
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O4 .7464 .7936 .445 .0171 |
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O5 .9753 .6866 .952 .0169 |
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O6 .8993 .7983 .052 .0202 |
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O7 .6062 .9477 .032 .0232 |
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O8 .5115 .0616 .011 .0166 |
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O9 .8965 .9494 .980 .0230 |
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O10 .9835 .0624 .039 .0190 |
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O11 .7381 .9538 .473 .0194 |
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O12 .7547 .0733 .432 .0116 |
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OH13 .6016 .7238 .322 .0139 |
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O14 .5935 .7558 .691 .0157 |
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O15 .9038 .7496 .688 .0107 |
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OH16 .8912 .7211 .322 .0139 |
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OH17 .7464 .7244 .968 .0184 |
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O18 .5779 .0136 .326 .0166 |
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OH19 .6147 .0210 .697 .0137 |
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OH20 .8880 .0229 .691 .0128 |
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O21 .9161 .0043 .325 .0205 |
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OH22 .7492 .0272 .076 .0152 |
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OW23 .7739 .8733 .995 .0302 |
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OW24 .9220 .6312 .314 .0319 |
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OW25 .4129 .8883 .202 .0327 |
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OW26 .9179 .1144 .690 .0382 |
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OW27 .5645 .6345 .300 .0411 |
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OW28 .7419 .6249 .025 .0539 |
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OW29 .634 .8602 .696 .0523 |
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OW30 .864 .8755 .390 .0452 |
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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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