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Catapleiite |
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Ilyushin G D, Voronkov A A, Ilyukhin V V, Nevskii N N, Belov N V |
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Doklady Akademii Nauk SSSR 260 (1981) 623-627 |
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Crystal structure of natural monoclinic catapleiite, Na2ZrSi3O9*2H2O |
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_database_code_amcsd 0012471 |
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23.917 20.148 7.432 90 90 147.46 B2/b |
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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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Na1 0 0 .5 .6667 .043819 .026807 .030703 .029042 -.001815 -.000371 |
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Na2 .25 0 .25 .6667 .066577 .046442 .053624 .043788 -.004157 .006252 |
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Na3 .25 0 .75 .6667 .010880 .005263 .023545 .006437 .002989 -.003729 |
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Na4 0 .25 .5059 .6667 .032274 .039731 .019321 .034390 .000000 .000000 |
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Na5 .2531 .2550 .7568 .6667 .026275 .030369 .028683 .026057 .004562 .010089 |
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Zr1 0 0 0 .013546 .011689 .012244 .011243 .000282 -.000093 |
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Zr2 0 .25 .0074 .012794 .010974 .011236 .010471 .000000 .000000 |
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Si1 .0976 .2221 .2996 .006324 .005217 .004486 .005144 -.001313 -.001331 |
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Si2 .0995 .2252 .7077 .007604 .006589 .003337 .006294 .001722 .001290 |
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Si3 .1972 .5723 .9985 .004183 .003723 .006391 .003268 .000081 .000181 |
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O1 .3661 .9233 .4912 .022414 .029674 .026378 .024586 -.002138 -.002760 |
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O2 .3666 .0586 .5100 .019021 .008094 .030548 .010321 -.000672 -.000928 |
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O3 .0493 .1747 .5045 .009163 .014371 .006936 .008104 .000732 .000456 |
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O4 .0711 .1285 .8027 .024338 .017391 .025717 .018152 .005997 .010263 |
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O5 .0641 .2558 .8058 .026001 .030613 .023728 .026926 .005154 -.000525 |
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O6 .2265 .3544 .6779 .006413 .009724 .007651 .004717 -.001085 -.001768 |
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O7 .0620 .1203 .2020 .030852 .020046 .020921 .022640 -.003884 -.007471 |
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O8 .0690 .2625 .2062 .031777 .025311 .022799 .026254 -.003976 .000952 |
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O9 .2239 .3455 .3262 .009995 .014074 .009649 .008193 -.006103 -.004056 |
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Wat1 .3315 .0362 .0078 .057238 .054624 .066070 .045751 -.004058 .001368 |
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Wat2 .3371 .8816 .9908 .061917 .055961 .054355 .048617 -.007065 -.002559 |
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Hilairite |
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Ilyushin G D, Voronkov A A, Nevskii N N, Ilyukhin V V, Belov N V |
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Doklady Akademii Nauk SSSR 260 (1981) 1118-1120 |
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Crystal structure of hilairite, Na2ZrSi3O9*3H2O |
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_database_code_amcsd 0012472 |
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10.556 10.556 15.855 90 90 120 R32 |
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atom x y z occ Biso |
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Na1 0 0 .1970 .800 7.9 |
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Na2 .3888 0 .5 .678 2.6 |
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Zr1 0 0 0 1.19 |
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Zr2 0 0 .5 1.00 |
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Si .4174 .4128 .2486 .72 |
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O1 .0921 .1846 .0768 1.19 |
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O2 .0989 .1902 .5720 1.18 |
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O3 .6539 0 0 1.19 |
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O4 .6434 0 .5 1.22 |
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Wat .5000 .1460 .0630 3.63 |
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Ca O4 Si Sr |
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Il'inets A, Nevskii N, Ilyukhin V, Bikbau M, Belov N |
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Doklady Akademii Nauk SSSR 267 (1982) 641-644 |
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The crystal structure of alpha'-modification of dicalcium silicate Ca |
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(Ca, Sr) Si O4 |
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_cod_database_code 1100022 |
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_database_code_amcsd 0018223 |
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20.871 9.496 5.600 90 90 90 Pna2_1 |
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atom x y z |
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Sr1 .279 .421 .740 |
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Sr2 .445 .078 .766 |
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Sr3 .111 .078 .752 |
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Ca1 .001 .200 .267 |
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Ca2 .335 .200 .237 |
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Ca3 .168 .299 .246 |
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Si1 .259 .083 .740 |
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Si2 .427 .416 .749 |
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Si3 .092 .416 .760 |
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O1 .111 .065 .318 |
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O2 .445 .067 .322 |
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O3 .249 .194 .531 |
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O4 .065 .328 .987 |
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O5 .227 .156 .981 |
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O6 .083 .309 .542 |
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O7 .281 .436 .3 |
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O8 .333 .061 .820 |
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O9 .166 .431 .813 |
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O10 .403 .328 .978 |
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O11 .002 .056 .753 |
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O12 .403 .341 .5 |
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Reinhardbraunsite |
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Kuznetsova T P, Nevskii N N, Ilyukhin V V, Belov N V |
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Soviet Physics - Crystallography 25 (1980) 91-92 |
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Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4 |
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Locality: synthetic |
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_database_code_amcsd 0015581 |
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8.9207 11.4481 5.0759 90 90 108.32 P2_1/b |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 0 0 0 .00152 .00112 .00358 .00011 -.00143 -.00056 |
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Ca2 .1875 .3301 .0004 .00152 .00087 .00550 .00092 -.00053 .00053 |
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Ca3 .4185 .1195 -.0100 .00151 .00122 .00544 .00104 .00123 .00003 |
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Si1 .2006 .1452 .4259 .00107 .00090 .00212 .00074 .00008 .00016 |
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O1 .2065 .0156 .2946 .00246 .00116 .00576 .00146 -.00029 -.00015 |
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O2 .0442 .1699 .2961 .00166 .00147 .00704 .00163 .00000 .00077 |
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O3 .3534 .2524 .2984 .00148 .00114 .00779 .00032 .00076 .00032 |
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O4 .1996 .1464 .7450 .00238 .00158 .00452 .00107 .00024 .00068 |
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OH5 .4006 .4422 .7448 .00367 .00382 .03290 .01255 .04120 .01630 |
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Rustumite |
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Nevskii N N, Ilyukhin V V, Khaui R A, Belov N V |
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Soviet Physics Doklady 24 (1979) 812-814 |
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The crystal structure of rustumite |
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_database_code_amcsd 0015606 |
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7.62 18.54999 15.51 90 104.3 90 C2/c |
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atom x y z Biso |
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Ca1 .2582 .3520 .2498 .95 |
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Ca2 .4399 .3024 .6192 .96 |
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Ca3 .5760 .2068 .4039 .95 |
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Ca4 .3298 .0232 .4017 1.02 |
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Ca5 .3106 .5148 .3964 .93 |
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Si1 .4420 .6319 .5614 .76 |
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Si2 .3692 .1340 .5643 .83 |
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Si3 .5 .5276 .25 .82 |
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O1 .3349 .3786 .4161 .99 |
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O2 .4782 .1759 .6518 .96 |
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O3 .4318 .0523 .5559 1.18 |
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O4 .4629 .5760 .1594 .95 |
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O5 .3503 .1770 .4725 1.10 |
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O6 .3767 .6870 .4777 1.05 |
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O7 .4236 .3277 .1516 1.36 |
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O8 .3168 .4778 .2481 1.07 |
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O9 .3695 .4476 .0429 1.19 |
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Cl .2384 .2961 .7458 1.28 |
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OH10 .0560 .5881 .3535 1.23 |
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Kostylevite |
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Ilyukhin V V, Khomyakov A P, Shumyatskaya N G, Voronkov A A, Nevskii N N, |
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Belov N V |
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Soviet Physics Doklady 26 (1981) 118-120 |
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The crystal structure of the new natural zirconosilicate K4Zr2Si6O18*2H2O |
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Locality: Khibinsk massif, Kola Peninsula, Russia |
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Note: dimorphic with umbite |
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Note: y(O7) corrected |
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_database_code_amcsd 0015609 |
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6.565 13.171 11.727 90 90 105.26 P2_1/b |
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atom x y z Biso |
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K1 .7950 .0853 .5484 1.78 |
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K2 .6816 .8849 .8831 3.03 |
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Zr .1223 .2205 .7834 .72 |
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Si1 .8438 .1557 .0275 .68 |
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Si2 .5885 .1513 .8132 .64 |
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Si3 .7909 .0181 .2357 .61 |
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O1 .8037 .2003 .7470 1.06 |
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O2 .0573 .1920 .9536 1.24 |
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O3 .4391 .2298 .8145 1.20 |
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O4 .1649 .3775 .8129 1.12 |
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O5 .1943 .2557 .6115 1.20 |
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O6 .0770 .0636 .7326 1.21 |
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O7 .6372 .1188 .9436 1.41 |
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O8 .8495 .0525 .1024 1.38 |
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O9 .4662 .0376 .7568 1.01 |
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Wat .4029 .1243 .4927 2.83 |
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