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Armstrongite |
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Mesto E, Kaneva E, Schingaro E, Vladykin N, Lacalamita M, Scordari F |
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American Mineralogist 99 (2014) 2424-2432 |
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Armstrongite from Khan Bogdo (Mongolia): Crystal structure determination and |
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implications for zeolite-like cation exchange properties |
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Locality: Khan Bogdo deposit, southern Gobi Desert, Gobi, Mongolia |
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_database_code_amcsd 0020417 |
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14.0178 14.1289 7.8366 90 109.436 90 C2/m |
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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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Ca1 .25436 .5 .04824 .96 .0200 .0296 .0108 .0251 0 .0163 0 |
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Ce1 .25436 .5 .04824 .01 .0200 .0296 .0108 .0251 0 .0163 0 |
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Yb1 .25436 .5 .04824 .01 .0200 .0296 .0108 .0251 0 .0163 0 |
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Zr1 .25 .25 0 .99 .0102 .01089 .00812 .01256 -.00063 .00502 -.00104 |
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Si1 .18699 .61399 .33903 .0128 .0145 .0099 .0148 .0014 .0061 .0020 |
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Si2 .34112 .61018 .73110 .0122 .0153 .0081 .0148 -.0006 .0072 -.0011 |
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Si3 .00363 .74257 .30239 .0129 .0115 .0114 .0164 .0006 .0055 .0001 |
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O1 0 .7679 .5 .0287 .0368 .035 .0189 0 .0150 0 |
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O2 .2598 .63983 .5392 .0237 .0310 .0219 .0153 -.0004 .0037 .0011 |
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O3 .29672 .62811 .8916 .0166 .0207 .0136 .0185 -.0002 .0105 .0006 |
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O4 .22858 .65291 .1858 .0183 .0255 .0147 .0181 .0027 .0116 .0004 |
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O5 .1824 .5 .3095 .0206 .0232 .0106 .0299 0 .0113 0 |
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O6 .3703 .5 .7273 .0216 .0298 .0093 .0310 0 .0170 0 |
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O7 .44478 .66733 .7598 .0220 .0219 .0177 .0278 .0012 .0103 -.0077 |
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O8 .07373 .64942 .3147 .0250 .0201 .0189 .0380 .0042 .0123 .0076 |
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O9 -.10488 .72320 .1627 .0224 .0139 .0229 .0264 -.0001 .0012 -.00021 |
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O10 .0883 .5 -.1431 .0641 .042 .035 .091 0 -.010 0 |
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O11 .4154 .5 .2651 .0577 .024 .041 .099 0 .009 0 |
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H101 .0461 .5489 -.1675 .0951 |
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H111 .4565 .4508 .2833 .0836 |
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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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Armstrongite |
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Kabalov Y K, Zubkova N V, Pushcharovsky D Y, Schneider J, Sapozhnikov A N |
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Zeitschrift fur Kristallographie 215 (2000) 757-761 |
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Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O |
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Locality: granite pegmatites and alkaline granites in Mongolia |
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_database_code_amcsd 0019061 |
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14.018 14.133 7.840 90 109.40 90 C2 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .253 .252 .040 .91 .0005 .0011 .033 .003 .004 .0002 |
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Na .253 .252 .040 .09 .0005 .0011 .033 .003 .004 .0002 |
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Zr .252 .0 .002 .96 .0031 .0027 .024 .001 .0077 .0003 |
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Y .252 .0 .002 .03 .0031 .0027 .024 .001 .0077 .0003 |
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Ti .252 .0 .002 .01 .0031 .0027 .024 .001 .0077 .0003 |
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Si .177 .137 .335 .003 .001 .011 .001 .001 .002 |
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Si(2) .199 .367 .345 .006 .002 .013 .001 .006 .001 |
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Si(3) .340 .364 .735 .002 .002 .014 .001 .003 -.0002 |
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Si(4) .336 .142 .717 .001 .001 .020 .0002 .005 .004 |
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Si(5) -.002 .005 .301 .005 .005 .01 -.002 .001 -.001 |
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Si(6) .008 .491 .296 .002 .003 .006 .001 -.0001 .003 |
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O(1) .5 .478 .5 .1 |
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O(2) .0 .494 .5 .5 |
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O(3) .268 .118 .516 .5 |
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O(4) .250 .396 .553 .6 |
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O(5) .212 .105 .180 .8 |
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O(6) .310 .377 .913 .1 |
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O(7) .242 .415 .199 1.4 |
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O(8) .284 .112 .861 .3 |
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O(9) .182 .250 .320 .53 |
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O(10) .369 .253 .721 .4 |
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O(11) .064 .104 .320 1.2 |
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O(12) .450 .421 .777 .6 |
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O(13) .085 .403 .300 1.2 |
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O(14) .444 .092 .736 .2 |
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O(15) -.091 .475 .120 1.1 |
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O(16) -.114 .027 .182 .4 |
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Wat(17) .098 .242 .780 3.8 |
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Wat(18) .430 .227 .197 2.2 |
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Wat(19) .0 .320 1.0 4.9 |
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Wat(20) .0 .178 .5 3.2 |
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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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Armstrongite |
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Kashaev A A, Sapozhnikov A N |
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Kristallografiya 23 (1978) 956-961 |
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Crystal structure of armstrongite |
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_database_code_amcsd 0014184 |
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14.04 14.16 7.81 90 109.55 90 C2 |
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atom x y z Biso |
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Ca .248 .253 .053 1.3 |
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Zr .258 0 .024 1.3 |
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Si1 .174 .139 .338 1.3 |
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Si2 .202 .368 .345 1.3 |
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Si3 .342 .363 .743 1.3 |
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Si4 .337 .143 .718 1.3 |
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Si5 .002 .005 .299 1.3 |
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Si6 .008 .491 .294 1.3 |
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O1 .5 .476 .5 1.3 |
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O2 0 .492 .5 1.3 |
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O3 .268 .117 .512 1.3 |
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O4 .252 .398 .551 1.3 |
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O5 .212 .102 .176 1.3 |
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O6 .310 .378 .921 1.3 |
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O7 .242 .416 .195 1.3 |
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O8 .282 .110 .862 1.3 |
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O9 .181 .253 .321 1.3 |
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O10 .370 .252 .724 1.3 |
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O11 .061 .103 .325 1.3 |
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O12 .450 .423 .781 1.3 |
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O13 .087 .404 .300 1.3 |
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O14 .443 .091 .735 1.3 |
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O15 -.090 .476 .114 1.3 |
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O16 -.116 .028 .176 1.3 |
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Wat1 .097 .238 .777 1.3 |
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Wat2 .434 .231 .176 1.3 |
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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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