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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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| 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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Becquerelite |
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Burns P C, Li Y |
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American Mineralogist 87 (2002) 550-557 |
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The structures of becquerelite and Sr-exchanged becquerelite |
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_database_code_amcsd 0002789 |
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13.8527 12.3929 14.9297 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 .9104 .4404 .7417 .0095 .0072 .0087 .0127 .0011 -.0009 .0008 |
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U2 .8717 .7513 .7525 .0096 .0079 .0068 .0141 .0013 .0002 -.0005 |
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U3 .9058 .0597 .7493 .0087 .0056 .0079 .0126 -.0003 .0001 -.0014 |
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U4 .6267 .2479 .7221 .0087 .0074 .0063 .0124 .0008 -.0002 -.0010 |
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U5 .6574 .5614 .7087 .0103 .0073 .0081 .0154 -.0012 -.0016 .0009 |
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U6 .6515 .9333 .7112 .0092 .0066 .0101 .0108 .0014 -.0001 -.0001 |
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Ca .9572 .4221 .4656 .0175 .0197 .0204 .0123 -.0062 -.0049 .0055 |
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O1 .9463 .457 .6264 .0175 |
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O2 .869 .418 .8523 .0286 |
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O3 .9265 .7668 .6445 .0219 |
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O4 .8221 .743 .8627 .0177 |
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O5 .9411 .029 .6345 .0137 |
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O6 .8708 .094 .8611 .0194 |
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O7 .6037 .250 .6035 .0195 |
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O8 .6569 .249 .8388 .0209 |
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O9 .6631 .550 .5895 .0169 |
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O10 .6477 .580 .8266 .0290 |
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O11 .6679 .951 .5929 .0161 |
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O12 .6263 .904 .8280 .0155 |
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O13 .8179 .585 .7190 .0185 |
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O14 .0654 .415 .7758 .0138 |
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O15 .8080 .916 .7429 .0127 |
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O16 .5629 .084 .7232 .0179 |
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OH1 .9904 .620 .8024 .0137 |
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OH2 .9496 .244 .7199 .0157 |
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OH3 .7561 .379 .6924 .0109 |
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OH4 .6959 .748 .6839 .0162 |
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OH5 .9858 .8822 .8077 .0084 |
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OH6 .7554 .126 .6939 .0110 |
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Wat1 .8897 .605 .4870 .0230 |
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Wat2 .1230 .412 .5223 .0314 |
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Wat3 .9469 .245 .5220 .0261 |
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Wat4 .777 .388 .4980 .0256 |
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Wat5 .6983 .758 .4978 .0391 |
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Wat6 .977 .886 .983 .0633 |
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Wat7 .545 .091 .477 .0385 |
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Wat8 .7829 .125 .5050 .0265 |
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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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Becquerelite |
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Burns P C, Li Y |
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American Mineralogist 87 (2002) 550-557 |
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The structures of becquerelite and Sr-exchanged becquerelite |
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put occ in tables |
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Sample: Sr-exchanged becquerelite |
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_database_code_amcsd 0002790 |
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7.020 7.020 6.992 90 90 120 P3 |
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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 .9564 .6605 .365 .0238 .0176 .0121 .0275 -.0032 .0000 .0000 |
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Sr1 2/3 1/3 -.137 .61 .0389 .0200 .0200 .0767 .0100 0 0 |
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Sr2 0 0 .866 .66 .0395 .0435 .0435 .0315 .0217 0 0 |
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O1 .981 .693 .117 .0761 |
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O2 .949 .689 .630 .0474 |
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OH3 .319 .914 .320 .0330 |
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O4 2/3 1/3 .314 .0196 |
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O5 0 0 .314 .0061 |
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Wat6 .334 .921 .892 .0381 |
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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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Becquerelite |
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Piret-Meunier J, Piret P |
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Bulletin de Mineralogie 105 (1982) 606-610 |
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Nouvelle determination de la structure cristalline de la bequerelite |
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Locality: Shinkolobwe, Shaba, Zaire |
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_database_code_amcsd 0012079 |
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13.86 12.30 14.92 90 90 90 Pn2_1a |
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atom x y z Biso |
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Ca .0432 .0767 .466 1.6 |
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U1 .1516 .0659 .2114 .47 |
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U2 .3716 .2475 .2524 .59 |
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U3 .6578 .4378 .2917 .70 |
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U4 .9103 .5586 .2583 .61 |
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U5 .1269 .75 .2222 .55 |
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U6 .4062 .9397 .2492 .49 |
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O1 .174 .048 .089 1.6 |
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O2 .126 .086 .337 1.6 |
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O3 .429 .221 .136 1.6 |
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O4 .321 .254 .368 1.6 |
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O5 .664 .462 .408 1.6 |
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O6 .650 .406 .171 1.6 |
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O7 .941 .540 .376 1.6 |
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O8 .870 .576 .139 1.6 |
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O9 .155 .731 .341 1.6 |
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O10 .102 .741 .100 1.6 |
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O11 .363 .893 .363 1.6 |
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O12 .447 .976 .132 1.6 |
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O13 .064 -.084 .225 1.1 |
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OH14 -.013 .120 .194 1.2 |
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OH15 .195 .262 .177 1.2 |
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O16 .309 .084 .243 1.1 |
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O17 .315 .418 .217 1.1 |
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O18 .063 .584 .232 1.1 |
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OH19 .991 .374 .189 1.2 |
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OH20 .450 .764 .226 1.2 |
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OH21 .253 .872 .198 1.2 |
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OH22 .258 .628 .184 1.2 |
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Wat23 .220 .359 .510 2.2 |
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Wat24 .203 .270 -.006 2.2 |
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Wat25 .049 -.394 -.018 2.2 |
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Wat26 .012 -.128 -.017 2.2 |
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Wat27 .224 .113 .496 1.8 |
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Wat28 .108 -.125 .479 1.8 |
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Wat29 .053 .277 .522 1.8 |
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Wat30 -.126 .089 .514 1.8 |
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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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