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Nenadkevichite |
 |
Rastsvetaeva R K, Tamazyan R A, Pushcharovsky D Y, Nadezhina T N |
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European Journal of Mineralogy 6 (1994) 503-509 |
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Crystal structure and microtwinning of K-rich nenadkevichite |
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Note: Wat4 y-coordinate changed to reproduce reported bond lengths |
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_database_code_amcsd 0006548 |
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14.692 14.164 7.859 90 117.87 90 Cm |
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atom x y z occ Biso |
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K1 .5001 .8194 .983 .76 3.4 |
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K2 .432 0 .705 .53 6.8 |
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K3 .910 0 .648 .44 3.0 |
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K4 .081 0 .288 .49 3.7 |
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Na1 .009 0 .468 .58 1.9 |
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Na2 .796 0 .529 .39 8.8 |
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Na3 .006 0 .109 .25 13.9 |
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NbM1 0 .7691 .5 .6 .32 |
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TiM1 0 .7691 .5 .4 .32 |
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NbM2 .7434 .7480 .4644 .5 .53 |
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TiM2 .7434 .7480 .4644 .5 .53 |
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Si1 .2170 .8920 .7800 1.5 |
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Si2 .6918 .8916 .736 2.0 |
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Si3 .8055 .8901 .186 .9 |
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Si4 .3287 .8914 .230 1.0 |
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O1 .911 .766 .586 3.2 |
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O2 .925 .873 .308 1.8 |
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O3 .268 .867 .341 1.7 |
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O4 .274 .823 .702 3.3 |
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O5 .429 .8256 .285 1.4 |
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O6 .375 0 .280 2.9 |
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O7 .2512 .879 .003 2.0 |
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O8 .227 0 .730 1.8 |
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O9 .104 .7682 .372 .6 |
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O10 .092 .870 .665 2.3 |
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O11 .747 .8652 .601 2.1 |
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O12 .732 .8244 .245 .9 |
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O13 .591 .826 .672 2.3 |
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O14 .656 0 .711 1.5 |
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O15 .771 .872 .956 2.9 |
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O16 .777 0 .204 1.7 |
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Wat1 .030 .880 .982 .56 2.7 |
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Wat2 .564 0 .212 .61 4.2 |
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Wat3 .299 0 .513 .32 2.6 |
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Wat4 .036 .827 .025 .37 12.5 |
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Wat5 .514 0 .891 .36 6.1 |
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Barentsite |
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Tjy C T L, Pobedimskaya E A, Fundamenskii V S, Nadezhina T N, Khomyakov A P |
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Doklady Akademii Nauk SSSR 273 (1983) 699-704 |
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The crystal structure of barentsite |
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Note: y(O1) corrected |
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_database_code_amcsd 0012474 |
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6.472 6.735 8.806 92.50 97.33 119.32 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 0 0 0 .0136 .0120 .0160 .0088 .0067 .0056 |
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Na2 .5 .5 0 .0104 .0131 .0122 .0079 .0026 .0027 |
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Na3 .5 0 0 .0098 .0113 .0166 .0053 .0014 .0050 |
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Na4 .72594 .38587 .35730 .0156 .0121 .0088 .0083 .0025 .0016 |
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Na5 .77860 .12001 .64502 .0153 .0118 .0088 .0077 .0015 .0007 |
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Al 0 .5 0 .0065 .0067 .0049 .0040 0014 .0011 |
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H .2084 .2219 .5139 .1 |
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C1 .28907 .11140 .70073 .0075 .0075 .0083 .0038 .0017 .0017 |
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C2 .20352 .38800 .28539 .0072 .0069 .0064 .0033 .0007 .0013 |
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O1 .35206 -.00777 .62662 .0149 .0115 .0109 .0090 .0028 .0008 |
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O2 .20770 .23336 .61985 .0198 .0150 .0111 .0138 .0045 .0051 |
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O3 .29366 .13085 .84371 .0137 .0051 .0072 .0077 .0031 .0022 |
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O4 .28515 .25854 .33757 .0168 .0141 .0116 .0121 .0025 .0046 |
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O5 .17493 .39169 .13584 .0112 .0124 .0057 .0072 .0018 .0018 |
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O6 .15343 .50495 .37421 .0164 .0125 .0074 .0101 .0023 .0003 |
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F1 .75409 .39462 .10792 .0099 .0149 .0079 .0079 .0038 .0036 |
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F2 .85005 .21556 .89472 .0116 .0096 .0085 .0058 .0004 -.0002 |
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Bonshtedtite |
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Tjy C T L, Nadezhina T N, Pobedimskaya E A, Khomyakov A P |
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Mineralogiceskij Zhurnal 6 (1984) 79-84 |
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Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite |
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Note: atomic parameters from ICSD |
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_database_code_amcsd 0018485 |
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8.955 5.149 6.629 90 90 90.45 P2_1/m |
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atom x y z Biso |
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Na1 .2633 .2497 .0032 1.26 |
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Na2 .9177 .2346 .75 1.66 |
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Fe .6447 .2217 .25 .80 |
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P .5859 .2967 .75 .55 |
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C .9392 .2696 .25 .75 |
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O1 .8741 .0478 .25 1.08 |
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O2 .8572 .4753 .25 1.19 |
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O3 .0808 .2850 .25 1.41 |
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O4 .6805 .2209 .563 1.07 |
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O5 .4343 .1630 .75 .89 |
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O6 .4390 .4065 .25 .95 |
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|
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Donnayite-(Y) |
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Tjy C T L, Pobedimskaya E A, Nadezhina T N, Khomyakov A P |
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Moscow University Geology Bulletin 47 (1992) 60-70 |
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Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O |
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Locality: Khibiny alkaline massif |
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_database_code_amcsd 0018481 |
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8.983 8.985 6.780 116.25 102.76 60.00 P1 |
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atom x y z occ Biso |
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NaA1 0 0 0 .31 .81 |
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NaA2 .3232 .3346 -.0066 .31 .86 |
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NaA3 .663 .663 -.006 .31 1.0 |
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YA1 0 0 0 .26 .81 |
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YA2 .3232 .3346 -.0066 .26 .86 |
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YA3 .663 .663 -.006 .26 1.0 |
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CeA1 0 0 0 .20 .81 |
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CeA2 .3232 .3346 -.0066 .20 .86 |
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CeA3 .663 .663 -.006 .20 1.0 |
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LaA1 0 0 0 .10 .81 |
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LaA2 .3232 .3346 -.0066 .10 .86 |
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LaA3 .663 .663 -.006 .10 1.0 |
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NdA1 0 0 0 .05 .81 |
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NdA2 .3232 .3346 -.0066 .05 .86 |
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NdA3 .663 .663 -.006 .05 1.0 |
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DyA1 0 0 0 .03 .81 |
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DyA2 .3232 .3346 -.0066 .03 .86 |
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DyA3 .663 .663 -.006 .03 1.0 |
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GdA1 0 0 0 .02 .81 |
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GdA2 .3232 .3346 -.0066 .02 .86 |
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GdA3 .663 .663 -.006 .02 1.0 |
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PrA1 0 0 0 .01 .81 |
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PrA2 .3232 .3346 -.0066 .01 .86 |
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PrA3 .663 .663 -.006 .01 1.0 |
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ErA1 0 0 0 .01 .81 |
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ErA2 .3232 .3346 -.0066 .01 .86 |
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ErA3 .663 .663 -.006 .01 1.0 |
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YbA1 0 0 0 .01 .81 |
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YbA2 .3232 .3346 -.0066 .01 .86 |
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YbA3 .663 .663 -.006 .01 1.0 |
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Sr1 .6608 .4627 .3771 .73 1.0 |
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Sr2 -.0086 .7911 .3710 .73 1.0 |
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Sr3 .3277 .1250 .3769 .73 1.0 |
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Ca1 .6608 .4627 .3771 .15 1.0 |
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Ca2 -.0086 .7911 .3710 .15 1.0 |
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Ca3 .3277 .1250 .3769 .15 1.0 |
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Na1 .6608 .4627 .3771 .09 1.0 |
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Na2 -.0086 .7911 .3710 .09 1.0 |
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Na3 .3277 .1250 .3769 .09 1.0 |
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Ba1 .6608 .4627 .3771 .03 1.0 |
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Ba2 -.0086 .7911 .3710 .03 1.0 |
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Ba3 .3277 .1250 .3769 .03 1.0 |
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C1 -.003 .417 .246 .2 |
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C2 .666 .072 .253 1.1 |
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C3 .326 .779 .269 1.7 |
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C4 .556 .378 .782 2.8 |
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C5 .437 .931 .795 2.6 |
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C6 -.001 .487 .785 2.2 |
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O1 -.001 .281 .288 2.0 |
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O2 .150 .424 .284 1.4 |
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O3 .846 .556 .234 1.2 |
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O4 .677 .932 .231 1.5 |
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O5 .806 .080 .236 .3 |
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O6 .525 .228 .262 .8 |
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O7 .324 .614 .251 .2 |
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O8 .468 .758 .254 1.5 |
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O9 .196 .906 .262 2.7 |
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O10 .514 .239 .713 3.3 |
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O11 .508 .525 .721 2.7 |
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O12 .667 .374 .963 1.8 |
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O13 .334 .057 .712 4.1 |
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O14 .612 .777 .711 2.8 |
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O15 .387 .933 .960 2.2 |
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O16 .874 .414 .710 2.4 |
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O17 .142 .429 .709 3.0 |
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O18 .936 .660 .957 2.1 |
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Wat19 .152 .701 .701 2.9 |
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Wat20 .037 .066 .712 3.2 |
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Wat21 .786 .952 .710 2.9 |
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|
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Donnayite-(Y) |
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Tjy C T L, Pobedimskaya E A, Nadezhina T N, Khomyakov A P |
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Moscow University Geology Bulletin 47 (1992) 60-70 |
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Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O |
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Locality: Khibiny alkaline massif |
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_database_code_amcsd 0018482 |
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5.211 5.211 18.357 90 90 120 R3m |
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atom x y z occ Biso |
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Na 0 0 0 .49 1.87 |
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Y 0 0 0 .24 1.87 |
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Ce 0 0 0 .11 1.87 |
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La 0 0 0 .09 1.87 |
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Gd 0 0 0 .02 1.87 |
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Dy 0 0 0 .02 1.87 |
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Er 0 0 0 .01 1.87 |
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Yb 0 0 0 .01 1.87 |
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Pr 0 0 0 .01 1.87 |
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Sr 0 0 .794 .71 .97 |
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Ca 0 0 .794 .19 .97 |
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Ba 0 0 .794 .09 .97 |
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Na 0 0 .794 .01 .97 |
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C 0 0 .416 1.37 |
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O1 -.143 .143 .422 1.7 |
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Wat2 .169 .139 .570 1/6 3.7 |
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O2 .169 .139 .570 1/12 3.7 |
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C2 .169 .139 .570 1/6 3.7 |
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O3 .080 .361 .911 .25 5.6 |
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O4 .091 .118 .653 1/6 .8 |
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|
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Clinobehoite |
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Nadezhina T N,Pushcharovsky D Y, Rastsvetaeva R K, Voloshin A V, Burshtein I F |
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Soviet Physics Doklady 34 (1989) 187-189 |
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Crystal structure of a new natural form of Be(OH)2 |
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Locality: Ural Mountains, Russia |
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_database_code_amcsd 0015616 |
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11.020 4.746 8.646 90 98.94 90 P2_1 |
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atom x y z Biso |
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Be1 .3099 .537 .407 .3 |
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Be2 .3087 .048 .219 .9 |
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Be3 .3254 .284 .909 .8 |
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Be4 .6750 .292 .280 1.2 |
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Be5 .9158 .256 .477 .5 |
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Be6 .0849 .248 .009 1.6 |
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O1 .3541 .215 .3837 .9 |
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O2 .3506 .714 .2587 1.4 |
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O3 .3788 .672 .5732 1.5 |
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O4 .1632 .580 .4105 .8 |
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O5 .3749 .161 .0769 1.3 |
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O6 .1622 .083 .1564 .7 |
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O7 .3728 .624 .8852 1.0 |
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O8 .1743 .282 .8786 1.2 |
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O9 .3743 .116 .7645 1.0 |
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O10 .0392 .064 .4557 .8 |
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O11 .0406 .568 .057 .9 |
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O12 .8241 .288 .3094 .8 |
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H1 .35 .15 .48 1.5 |
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H2 .66 .22 .05 1.5 |
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H3 .61 .73 .30 1.5 |
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H4 .37 .64 .19 1.5 |
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H5 .12 .57 .31 1.5 |
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H6 .57 .15 .44 1.5 |
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H7 .95 .05 .34 1.5 |
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H8 .14 .14 .25 1.5 |
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H9 .85 .08 .20 1.5 |
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H10 .83 .58 .23 1.5 |
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H11 .95 .54 .16 1.5 |
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H12 .42 .18 .04 1.5 |
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|
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Ewaldite |
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Voloshin A V, Subbotin V V, Yakovenchuk V N, Pakhomovsky Y A, |
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Men'shikov Y P, Nadezhina T N, Pushcharovsky D Y |
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Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva 1992 (1992) 56-66 |
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New data on the ewaldite |
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_database_code_amcsd 0015721 |
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5.318 5.318 12.837 90 90 120 P6_3mc |
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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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Ba 1/3 2/3 0 .008250 .008250 .002124 .004125 0 0 |
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Ca 1/3 2/3 .3045 .007543 .007543 .001062 .003772 0 0 |
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C 0 0 .427 .007190 .007190 .002124 .003654 0 0 |
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O1 .139 -.139 .426 .007425 .007425 .005765 .009429 .000423 -.000423 |
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O2 .292 .081 .665 .19 4.2 |
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O3 .532 .062 .151 .12 2.6 |
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O4 .603 .212 .277 .24 2.0 |
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O5 .231 .466 .703 .07 4.9 |
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|
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Ferronigerite-2N1S |
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Arakcheeva A V, Pushcharovskii D Y, Rastsvetaeva R K, Kashaev A A, Nadezhina T N |
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Kristallografiya 40 (1995) 639-644 |
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Crystal structure of nigerite-6H |
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Locality: Eastern Siberia, Irkutsk, Russia |
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_database_code_amcsd 0018796 |
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5.717 5.717 13.80 90 90 120 P-3m1 |
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atom x y z occ Biso |
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AlM1 0 0 .5 .35 |
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AlM2 .1691 .3377 .3306 .36 |
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AlT1 2/3 1/3 .4538 .20 .51 |
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FeT1 2/3 1/3 .4538 .44 .51 |
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ZnT1 2/3 1/3 .4538 .36 .51 |
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AlT2 0 0 .1235 .61 .42 |
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FeT2 0 0 .1235 .39 .42 |
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AlM3 .5 0 0 .75 .61 |
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Sn 2/3 1/3 .1872 .40 |
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O1 .2938 .1471 .4128 .64 |
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O2 1/3 2/3 .4027 .52 |
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O3 0 0 .2592 .43 |
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O4 .0121 .5061 .2604 .52 |
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O5 1/3 2/3 .0701 .62 |
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O6 .3518 .1759 .0846 .99 |
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H 1/3 2/3 .14 1.00 |
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|
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|
| |
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