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Tashelgite |
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Rastsvetaeva R K, Aksenov S M, Verin I A |
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Crystallography Reports 55 (2010) 563-568 |
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Crystal structure of complex natural aluminum magnesium calcium iron oxide |
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Locality: Tashelga River, Western Siberia, Russia |
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_database_code_amcsd 0018315 |
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5.6973 17.1823 23.5718 90 90.0 90 Pc |
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atom x y z Biso |
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Al1 .951 .1671 .0342 .78 |
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Al2 .460 .1678 .0341 .65 |
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Al3 .952 .2859 .6478 1.1 |
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Al4 .457 .2862 .6494 .40 |
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Al5 .698 .2470 .4475 .43 |
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Al6 .447 .1088 .4790 .69 |
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Al7 .951 .1116 .4801 .7 |
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Al8 .450 .4428 .0864 .45 |
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Al9 .955 .4427 .0855 .92 |
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Al10 .217 .4717 .8825 .64 |
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Al11 .704 .1940 .8320 1.6 |
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Al12 .207 .4242 .6154 .86 |
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Al13 .953 .3868 .4129 1.0 |
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Al14 .455 .3898 .4144 1.0 |
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Al15 .702 .3055 .0634 .54 |
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Al16 .202 .0791 .2796 1.3 |
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Al17 .199 .0303 .0070 1.1 |
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Al18 .965 .2145 .2464 1.0 |
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Al19 .446 .2146 .2451 1.7 |
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Al20 .954 .0599 .8084 1.2 |
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Al21 .946 .3274 .8576 1.4 |
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Al22 .451 .0545 .8081 1.8 |
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Al23 .446 .3330 .8592 1.3 |
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Al24 .204 .4729 .4995 .7 |
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Al25 .701 .1982 .5651 .7 |
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Al26 .713 .2528 .9489 1.0 |
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Al27 .707 .3031 .3289 1.6 |
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Al28 .196 .0278 .3952 1.6 |
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Al29 .703 .4504 .6819 1.1 |
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Al30 .701 .5087 .3176 .4 |
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Al31 .701 .0041 .0751 .9 |
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Al32 .713 .0521 .2156 1.3 |
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Al33 .188 .2153 .7664 .6 |
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Al34 .206 .2789 .1272 .4 |
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Al35 .192 .1233 .6050 .7 |
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Al36 .203 .3744 .2862 .8 |
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Fe1 .200 .2812 .5172 1.17 |
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Fe2 .702 .0547 .9351 1.55 |
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Fe3 .705 .1103 .3513 1.32 |
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Fe4 .209 .3315 .9867 1.78 |
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Mg1 .211 .1683 .9078 1.0 |
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Mg2 .698 .3884 .5456 .3 |
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Mg3 .200 .2190 .3744 .4 |
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Mg4 .705 .4434 .9588 .3 |
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Ca1 .197 .4165 .7514 2.4 |
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Ca2 .209 .0841 .1430 .6 |
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Ca3 .702 .3742 .2009 1.3 |
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Ca4 .705 .1281 .6947 1.4 |
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O1 .943 .3403 .1170 .2 |
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O2 .673 .2015 .0839 .2 |
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O3 .204 .4706 .1342 .6 |
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O4 .212 .0874 .5364 2.0 |
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O5 .460 .3375 .1134 2.1 |
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O6 .728 .0870 .5323 .2 |
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O7 .227 .2418 .1940 1.7 |
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O8 .446 .3932 .6691 .9 |
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O9 .214 .1979 .0838 1.1 |
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O10 .955 .1807 .6175 .3 |
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O11 .983 .3948 .6680 1.1 |
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O12 .207 .2646 .6968 1.0 |
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O13 .708 .4740 .1334 1.6 |
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O14 .213 .3157 .5992 .6 |
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O15 .477 .1766 .6170 .8 |
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O16 .705 .1478 .9840 1.1 |
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O17 .197 .3717 .4666 1.2 |
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O18 .209 .1413 .9854 .9 |
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O19 .720 .3610 .4673 .7 |
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O20 .429 .0092 .4533 1.2 |
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O21 .188 .1308 .4290 1.4 |
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O22 .730 .089 .851 3.7 |
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O23 .205 .4242 .0306 1.0 |
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O24 .696 .4095 .0391 1.3 |
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O25 .727 .3461 .9150 .8 |
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O26 .432 .4502 .5546 .7 |
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O27 .930 .219 .506 3.1 |
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O28 .713 .2959 .5986 1.2 |
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O29 .213 .3701 .9067 1.9 |
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O30 .692 .1994 .2999 1.0 |
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O31 .424 .0493 .3358 1.1 |
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O32 .973 .4374 .8358 1.8 |
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O33 .199 .0777 .8682 4.3 |
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O34 .453 .4413 .8352 .5 |
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O35 .960 .1626 .7829 .7 |
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O36 .983 .0076 .4536 .6 |
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O37 .225 .3048 .8124 1.3 |
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O38 .503 .2164 .5043 2.2 |
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O39 .923 .2699 .0041 .5 |
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O40 .473 .1664 .7860 2.1 |
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O41 .929 .2931 .3920 .9 |
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O42 .445 .0682 .0564 .3 |
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O43 .697 .4990 .2445 2.4 |
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O44 .722 .0292 .7596 .5 |
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O45 .20 .182 .298 9.0 |
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O46 .728 .4145 .3545 .7 |
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O47 .992 .0439 .3403 1.0 |
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O48 .983 .4514 .5587 2.2 |
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O49 .466 .2781 .0076 .7 |
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O50 .717 .2981 .8106 1.0 |
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O51 .714 1.0004 .1488 1.5 |
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O52 .478 .2816 .3869 .4 |
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O53 .966 .0542 .0607 1.4 |
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O54 .929 .2269 .8917 1.2 |
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O55 .215 .4209 .3590 1.1 |
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O56 .728 .1369 .4331 1.0 |
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O57 .433 .5026 .9384 1.2 |
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O58 .957 .3212 .2762 1.5 |
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O59 .996 .493 .4394 2.3 |
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O60 .477 .224 .8899 4.5 |
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O61 .171 .0275 .7635 .8 |
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O62 .468 .3165 .2728 1.4 |
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O63 .957 .1025 .2243 1.0 |
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O64 .471 .1058 .2225 1.4 |
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OH1 .213 .0485 .6547 1.0 |
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OH2 .231 .4438 .2294 5.1 |
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OH3 .727 .2625 .7011 1.0 |
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OH4 .682 .2341 .1992 1.0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Gunterblassite |
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Rastvetaeva R K, Aksenov S M, Chukanov N V |
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Doklady Chemistry 442 (2012) 57-62 |
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Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer |
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Locality: Rother Kopf mountain, Eifel volcanic field, Germany |
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Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported |
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_database_code_amcsd 0018694 |
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6.538 6.975 37.26 90 90 90 Pnm2_1 |
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atom x y z occ Biso |
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K1 .072 0 .2279 .35 2.3 |
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Ca1 .072 0 .2279 .25 2.3 |
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K2 .101 0 .0469 .5 1.2 |
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Ba2 .101 0 .0469 .3 1.2 |
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K3 .229 .5 .4225 .35 3.2 |
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Ca3 .229 .5 .4225 .25 3.2 |
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Fe .246 .5 .8685 .5 2.5 |
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Ca .246 .5 .8685 .2 2.5 |
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Mg .246 .5 .8685 .15 2.5 |
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Na .246 .5 .8685 .15 2.5 |
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Si1 .384 0 .8211 1.6 |
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Si2 .199 .218 .3163 1.7 |
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Si3 .013 0 .7708 2.6 |
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Si4 .429 0 .6388 1.1 |
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Si5 .055 0 .6904 1.0 |
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Si6 .207 .221 .1400 2.2 |
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Si7 .028 0 .5774 1.2 |
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Si8 .047 0 .4915 1.2 |
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Si9 .210 .233 .9462 2.0 |
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Si10 .437 0 .4463 1.2 |
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O1 .453 .316 .142 1.7 |
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O2 .240 0 .6060 5.4 |
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O3 .090 .323 .1777 1.9 |
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O4 .055 0 .7294 3.1 |
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O5 .052 .310 .1050 2.2 |
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O6 .225 0 .144 1.7 |
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O7 .438 .311 .3228 2.7 |
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O8 .260 0 .7830 1.6 |
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O9 .128 .316 .9838 3.1 |
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O10 .098 .289 .2823 1.3 |
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O11 .071 0 .5337 3.8 |
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O12 .263 0 .6696 4.2 |
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O13 .255 0 .4762 1.7 |
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O14 .181 0 .3231 3.0 |
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O15 .073 .294 -.0904 4.3 |
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O16 .450 .302 -.0593 1.7 |
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O17 .245 0 -.0466 1.4 |
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OH1 .251 0 .8570 2.0 |
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OH2 .058 .258 .3550 3.4 |
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OH3 .247 0 .4126 3.7 |
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Wat1 .245 .5 .6207 .8 1.6 |
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Wat2 .299 .5 .798 .8 1.7 |
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Wat3 .21 .5 .495 .8 1.4 |
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Wat4 .351 .5 .697 .6 4.2 |
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Wat5 .448 .259 .0450 .8 2.1 |
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Wat6 .446 .261 .2281 .6 2.8 |
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Wat7 .443 .198 .3779 .6 5.7 |
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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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Lileyite |
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Chukanov N V, Pekov I V, Rastsvetaeva R K, Aksenov S M, |
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Zadov A E, Van K V, Blass G, Schuller W, Ternes B |
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European Journal of Mineralogy 24 (2012) 181-188 |
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Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group |
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mineral from the Eifel volcanic area, Germany |
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Locality:Lohley quarry, Rhineland-Palatinate, Germany |
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_database_code_amcsd 0018776 |
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19.905 7.098 5.405 90 96.349 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba .2827 0 .2623 .75 .01464 .00940 .00941 0 .00095 0 |
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K .2827 0 .2623 .15 .01464 .00940 .00941 0 .00095 0 |
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Sr .2827 0 .2623 .1 .01464 .00940 .00941 0 .00095 0 |
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Na1 0 0 0 .0113 .0092 .0080 0 .0048 0 |
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Na2 0 .2594 .5 .45 .0192 .0174 .0144 0 .0049 0 |
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Ca2 0 .2594 .5 .2 .0192 .0174 .0144 0 .0049 0 |
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Fe2 0 .2594 .5 .25 .0192 .0174 .0144 0 .0049 0 |
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Mn2 0 .2594 .5 .1 .0192 .0174 .0144 0 .0049 0 |
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Mg 0 .5 0 .8 .0113 .0016 .0151 0 -.0110 0 |
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Fe 0 .5 0 .1 .0113 .0016 .0151 0 -.0110 0 |
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Ti 0 .5 0 .1 .0113 .0016 .0151 0 -.0110 0 |
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Ti .1458 0 .7068 .95 .00979 .00761 .00630 0 .00066 0 |
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Nb .1458 0 .7068 .05 .00979 .00761 .00630 0 .00066 0 |
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Si .1386 .2819 .2041 .00874 .00533 .00624 .00007 .00052 -.00028 |
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O1 .1713 .1889 .4657 .0164 .0082 .0074 -.0005 .0008 .0019 |
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O2 .1715 .1876 .9714 .0168 .0078 .0084 -.0001 .0023 -.0025 |
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O3 .1696 .5 .2164 .0137 .0049 .0107 0 .0006 0 |
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O4 .0579 .2867 .1735 .0085 .0152 .0196 .0002 -.0004 -.0016 |
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O5 .0604 0 .6671 .0118 .0343 .0134 0 .0004 0 |
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F .4443 0 .2848 .8 .0221 .0321 .0241 0 .0054 0 |
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OF .4443 0 .2848 .2 .0221 .0321 .0241 0 .0054 0 |
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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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