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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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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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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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