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Becquerelite |
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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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Locality: Shaba, Zaire |
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_database_code_amcsd 0001132 |
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13.8378 12.3781 14.9238 90 90 90 Pn2_1a |
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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 .08927 .5587 .25794 .0066 .0024 .0021 -.0011 -.0005 -.0013 |
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U2 .12835 .2467 .24753 .0080 .0077 .0036 .0005 .0003 -.0001 |
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U3 .09471 .9402 .25081 .0041 .0127 .0030 -.0015 .0007 -.0017 |
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U4 .37304 .75 .27802 .0061 .0052 .0026 -.0006 -.0005 -.0027 |
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U5 .34222 .4404 .29160 .0042 .0110 .0040 -.0010 -.0014 -.0022 |
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U6 .34898 .0690 .28840 .0068 .0034 .0028 -.0027 .0006 -.0022 |
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Ca .0429 .5735 .5341 .021 .022 .007 -.001 -.002 .004 |
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O101u .053 .537 .3728 .004 |
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O102u .138 .590 .1414 .004 |
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O201u .0739 .225 .3603 .004 |
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O202u .1747 .260 .1352 .004 |
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O301u .0641 .978 .3618 .004 |
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O302u .1081 .914 .1368 .004 |
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O401u .3861 .756 .3960 .004 |
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O402u .3488 .763 .1583 .004 |
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O501u .340 .452 .4059 .004 |
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O502u .354 .417 .1736 .004 |
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O601u .333 .050 .4095 .004 |
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O602u .375 .099 .1686 .004 |
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O1h .014 .384 .204 .015 |
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O2o .178 .416 .287 .015 |
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O3o -.072 .583 .224 .015 |
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O4h .052 .738 .2767 .015 |
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O5h .245 .617 .304 .015 |
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O7w .112 .389 .510 .017 |
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O8w -.121 .579 .477 .017 |
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O9w .057 .754 .4755 .017 |
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O10w .227 .607 .504 .017 |
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O11h .309 .248 .3159 .015 |
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O12h .011 .112 .191 .015 |
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O13o .190 .068 .262 .015 |
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O14o .438 .923 .267 .015 |
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O15h .247 .873 .307 .015 |
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O16w .305 .230 .504 .02 |
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O17w .063 .089 .025 .02 |
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O19w .469 .894 .517 .02 |
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O20w .213 .871 .495 .02 |
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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)
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View JMOL 3-D Structure
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Protasite |
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Pagoaga M K, Appleman D E, Stewart J M |
|
American Mineralogist 72 (1987) 1230-1238 |
|
Crystal structures and crystal chemistry of the uranyl oxide hydrates |
|
becquerelite, billietite, and protasite |
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Locality: Shinkolobwe mine, Shaba, Zaire |
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_database_code_amcsd 0001134 |
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12.2949 7.2206 6.9558 90 90.401 90 Pn |
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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 0 -.02314 0 .0056 .0060 .0001 -.0002 .0006 .0002 |
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U2 .81983 -.01959 .45837 .0027 .0059 .0026 -.0005 -.0002 .0019 |
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U3 .11859 -.01512 .52145 .0032 .0057 .0008 -.0004 -.0013 -.0001 |
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Ba .97749 .51175 .3285 .0130 .0062 .0088 .0010 -.0007 .0009 |
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O101u .0170 -.278 -.027 .012 |
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O102u .9897 .231 .056 .012 |
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O201u .8096 -.267 .504 .012 |
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O202u .8418 .224 .399 .012 |
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O301u .1337 -.264 .558 .012 |
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O302u .1034 .233 .462 .012 |
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O1o .9794 -.092 .318 .008 |
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O2o .9540 .005 -.308 .008 |
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O3h .8086 -.074 .072 .011 |
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O4h .1938 -.072 .203 .011 |
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O5o .1505 .025 -.163 .008 |
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O6w .187 .545 .156 .04 |
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O7w .802 .534 .062 .04 |
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O8w .934 .442 .722 .04 |
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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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