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Prosopite |
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Pudovkina Z V, Pyatenko Y A |
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Doklady Akademii Nauk SSSR 190 (1970) 665-667 |
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About the structure of the prosopite, Ca[Al2F4(OH)4], and about |
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some features of the fluoroaluminate crystal chemistry |
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_database_code_amcsd 0012448 |
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6.76 11.12 7.32 90 95.00 90 C2/c |
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atom x y z Biso |
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Ca 0 .461 .25 .62 |
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AlI .25 .25 0 .62 |
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AlII 0 .143 .25 .62 |
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FI .077 .382 .965 .62 |
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FII .182 .021 .285 .62 |
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OHI .201 .264 .257 .62 |
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OHII .023 .15 .997 .62 |
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Kazakovite |
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Voronkov A A, Pudovkina Z V, Blinov V A, Ilyukhin V V, Pyatenko Y A |
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Doklady Akademii Nauk SSSR 245 (1979) 106-109 |
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Crystal structure of kazakovite Na6Mn{Ti[Si6O18]} |
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_database_code_amcsd 0012462 |
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7.310 7.310 7.310 88.11 88.11 88.11 R-3m |
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atom x y z occ Biso |
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Na1 0 0 .5 1.59 |
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Na2 .5 .5 0 2.08 |
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Mn .2438 .2438 .2438 .5 1.60 |
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Ti 0 0 0 .22 |
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Si .2791 .2791 .7348 .78 |
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O1 .2133 .2133 .5472 1.98 |
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O2 .1843 .1843 .9149 1.46 |
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O3 .2416 .7584 .5 1.83 |
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Zirsinalite |
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Pudovkina Z V, Chernitsova N M, Voronkov A A, Pyatenko Yu A |
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Doklady Akademii Nauk SSSR 250 (1980) 865-867 |
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Crystal structure of zirsinalite Na6Ca{Zr(Si6O18)} |
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Locality: Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia |
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_database_code_amcsd 0012464 |
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10.593 10.593 10.593 58.13 58.13 58.13 R-3c |
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atom x y z occ Biso |
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Na1 .5 0 0 1.22 |
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Na2 .743 .757 .25 1.15 |
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Ca .3767 .3767 .3767 .5 1.16 |
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Zr 0 0 0 .93 |
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Si .1307 .1346 .5853 .93 |
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O1 .255 .296 .938 1.31 |
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O2 .950 .234 .968 1.33 |
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O3 .013 .487 .25 3.31 |
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O4 .518 .982 .25 1.24 |
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Imandrite |
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Chernitsova N M, Pudovkina Z V, Voronkov A A, Ilyukhin V V, Pyatenko Y A |
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Doklady Akademii Nauk SSSR 252 (1980) 618-621 |
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Imandrite Na12Ca3Fe2[Si6O18]2 - a representative of |
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a new branch in the lovozerite structural family |
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_database_code_amcsd 0012468 |
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10.331 10.546 7.426 90 90 90 Pmnn |
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atom x y z occ Biso |
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Na1 0 0 .5 .19 |
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Na2 .2407 .2334 .0207 1.61 |
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Na3 .5 0 0 3.97 |
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Ca .5 .2549 .7563 .75 .96 |
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Fe 0 0 0 .99 |
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Si1 .2723 .9920 .7152 .69 |
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Si2 .5 .2184 .2564 .77 |
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O1 0 .199 .935 2.04 |
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O2 .128 .376 .755 2.38 |
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O3 .5 .290 .073 1.50 |
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O4 .364 .444 .697 1.68 |
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O5 .329 .121 .787 1.94 |
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O6 .240 0 .5 2.89 |
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Kovdorskite |
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Ovchinnikov V E, Soloveva L P, Pudovkina Z V, Kapustin Yu L, Belov N V |
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Doklady Akademii Nauk SSSR 255 (1980) 351-354 |
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The crystal structure of kovdorskite Mg2(PO4)(OH)*3(H2O) |
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_database_code_amcsd 0012469 |
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10.35 12.90 4.73 90 102.0 90 P2_1/a |
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atom x y z Biso |
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Mg1 .1541 .4882 .0500 .67 |
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Mg2 .9964 .2886 .9339 .63 |
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P .2196 .3214 .5962 .47 |
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O1 .3493 .2661 .5864 .71 |
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O2 .1380 .2463 .7295 .85 |
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O3 .1388 .3521 .2873 .91 |
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O4 .2560 .4192 .7905 .94 |
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OH5 .9797 .4351 .7720 .83 |
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Wat6 .1659 .6467 .8735 1.14 |
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Wat7 .3228 .5328 .3604 1.28 |
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Wat8 .9861 .1532 .1657 1.44 |
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|
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Terskite |
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Pudovkina Z V, Chernitsova N M |
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Doklady Akademii Nauk SSSR 316 (1991) 645-649 |
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Crystal structure of terskite Na4Zr[H4Si6O18] |
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_database_code_amcsd 0012483 |
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14.195 14.750 7.511 90 90 90 Pnc2 |
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atom x y z Biso |
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Na1 .7554 .9976 .525 .82 |
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Na2 .2167 .2369 .970 1.90 |
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Na3 0 0 .905 .99 |
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Na4 .5 0 .056 1.39 |
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Na5 .7066 .2273 .016 1.40 |
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Zr .2537 .9974 .0002 1.08 |
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Si1 .5853 .1310 .7553 .86 |
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Si2 .3881 .1387 .3001 .76 |
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Si3 .3668 .1538 .7140 .64 |
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Si4 .8672 .1533 .2865 .71 |
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Si5 .8901 .1382 .6984 .62 |
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Si6 .0835 .1316 .2456 .81 |
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O1 .499 .129 .298 1.31 |
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O2 .470 .123 .789 1.42 |
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O3 .853 .132 .492 1.23 |
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O4 .350 .129 .503 .91 |
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O5 .349 .237 .242 .71 |
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O6 .854 .237 .785 1.19 |
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O7 .115 .262 .719 .93 |
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O8 .286 .106 .822 1.13 |
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O9 .335 .060 .191 .96 |
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O10 .785 .101 .170 .70 |
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O11 .835 .057 .805 .99 |
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O12 .971 .124 .221 1.08 |
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O13 .003 .132 .720 1.02 |
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O14 .614 .237 .742 .90 |
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O15 .636 .075 .911 1.15 |
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O16 .612 .088 .550 1.37 |
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O17 .134 .080 .084 1.17 |
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O18 .117 .092 .427 1.55 |
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|
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|
Prosopite |
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Pudovkina Z V, Chernitsova N M, Pyatenko Y A |
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Journal of Structural Chemistry 14 (1973) 345-347 |
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Refinement of the crystalline structure of prosopite, CaAl2F4(OH)4 |
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_database_code_amcsd 0014057 |
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6.76 11.12 7.32 90 95.0 90 C2/c |
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atom x y z Biso |
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Ca 0 .4606 .25 .67 |
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Al1 .25 .25 0 .57 |
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Al2 0 .1407 .25 .55 |
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F1 .0761 .3810 .9625 .88 |
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F2 .1818 .0244 .2819 .94 |
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OH1 .1998 .2632 .2439 .59 |
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OH2 .0231 .1534 .9971 .64 |
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|
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Tikhonenkovite |
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Pudovkina Z V, Chernitsova N M, Pyatenko Yu A |
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Journal of Structural Chemistry 14 (1973) 445-448 |
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Crystal structure refinement of tikhonenkovite Sr2[Al2F8(OH)2]*2H2O |
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_database_code_amcsd 0014058 |
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5.02 10.62 8.73 90 102.7 90 P2_1/c |
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atom x y z Biso |
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Sr .1264 .3173 .5587 1.5 |
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Al .847 .022 .339 1.4 |
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F1 .528 .100 .259 2.1 |
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F2 .024 .172 .326 2.4 |
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F3 .655 -.120 .347 2.3 |
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F4 .907 -.018 .149 2.6 |
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OH .163 -.062 .451 1.1 |
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Wat .578 .305 .444 1.9 |
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|
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|
| |
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Tadzhikite-(Ce) |
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Chernitsova N M, Pudovkina Z V, Pyatenko Y A |
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Soviet Physics Doklady 27 (1982) 367-368 |
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About the crystal structure of tadzhikite {(Ca,Tr)4(Y,Tr)2(Ti,Fe,Al)(O,OH)2 |
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[Si4B4O22]} |
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_database_code_amcsd 0015611 |
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18.946 4.714 10.302 90 111.58 90 P2/a |
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atom x y z occ Biso |
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Ca1 .2518 0 .3399 .99 |
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Ca2 .3450 .9616 .0708 .99 |
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Ce .0421 .0194 .3595 1.02 |
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Ti 0 0 0 .40 1.14 |
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Fe 0 0 0 .34 1.14 |
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Al 0 0 0 .26 1.14 |
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B1 .171 .523 .448 .32 |
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B2 .244 .460 .861 1.12 |
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Si1 .1015 .488 .647 .84 |
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Si2 .3871 .496 .837 .84 |
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O1 .460 .244 .439 1.10 |
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O2 .323 .319 .243 .90 |
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O3 .070 .706 .730 1.30 |
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O4 .131 .667 .538 1.00 |
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O5 .462 .192 .132 1.00 |
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O6 .255 .759 .140 1.20 |
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O7 .166 .229 .447 .50 |
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O8 .132 .676 .310 1.00 |
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O9 .312 .330 .838 1.40 |
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O10 .086 .733 .042 1.00 |
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O11 .055 .255 .159 1.60 |
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O12 .25 .331 0 .30 |
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O13 .25 .652 .5 .70 |
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|
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Lithosite |
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Pudovkina Z V, Solov'eva L P, Pyatenko Y A |
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Soviet Physics Doklady 31 (1986) 941-942 |
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Crystal structure of lithosite K3[HAl2Si4O13] |
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_database_code_amcsd 0015615 |
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15.197 10.233 8.435 90 90.31 90 P2_1 |
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atom x y z Biso |
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K1 .697 .054 .752 1.42 |
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K2 .422 .046 .752 1.84 |
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K3 .136 .064 .738 2.13 |
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K4 .801 .947 .247 1.43 |
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K5 .078 .938 .248 1.90 |
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K6 .370 .944 .244 1.90 |
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Al1 .910 .110 .930 .64 |
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Al2 .563 .188 .443 .83 |
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Al3 .936 .809 .558 .70 |
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Al4 .590 .891 .064 .65 |
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Si1 .262 .219 .435 .62 |
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Si2 .259 .221 .063 .37 |
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Si3 .561 .192 .053 .87 |
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Si4 .914 .111 .559 .81 |
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Si5 .243 .778 .939 .98 |
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Si6 .237 .777 .565 .68 |
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Si7 .586 .886 .439 .78 |
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Si8 .940 .807 .942 .86 |
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O1 .248 .188 .249 1.40 |
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O2 .995 .219 .948 1.09 |
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O3 .005 .721 .436 1.56 |
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O4 .293 .101 .958 1.21 |
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O5 .548 .027 .501 1.38 |
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O6 .552 .039 .997 1.18 |
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O7 .706 .597 .468 1.03 |
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O8 .547 .218 .245 1.39 |
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O9 .824 .153 .453 1.31 |
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O10 .824 .153 .054 1.46 |
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O11 .123 .598 .257 1.49 |
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O12 .167 .272 .501 1.37 |
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O13 .156 .245 .001 1.43 |
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O14 .247 .821 .754 1.06 |
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O15 .507 .781 .451 .87 |
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O16 .511 .773 .051 1.73 |
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O17 .196 .908 .479 1.24 |
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O18 .947 .961 .000 1.28 |
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O19 .946 .970 .486 .98 |
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O20 .204 .904 .024 1.06 |
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O21 .048 .295 .240 1.61 |
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O22 .690 .854 .970 .60 |
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O23 .665 .844 .560 1.21 |
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O24 .624 .898 .263 1.14 |
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O25 .663 .234 .001 1.43 |
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O26 .331 .745 .494 1.33 |
|
|
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|
| |
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