|
Dellaite |
 |
Ganiev R M, Ilyukhin V V, Belov N V |
|   |
Doklady Akademii Nauk SSSR 190 (1970) 831-834 |
|
Crystal structure of cement phase Y=Ca6[Si2O7][SiO4](OH)2 |
|
Locality: synthetic |
|
_database_code_amcsd 0012449 |
|
6.85 6.95 12.9 90.75 97.33 98.25 P-1 |
|
atom x y z Biso |
|
Ca1 .082 .194 .103 .17 |
|
Ca2 .192 .206 .489 .17 |
|
Ca3 .315 .191 .876 .17 |
|
Ca4 .560 .034 .321 .17 |
|
Ca5 .894 .468 .291 .17 |
|
Ca6 .595 .477 .703 .17 |
|
Si1 .618 .291 .098 .17 |
|
Si2 .809 .285 .885 .17 |
|
Si3 .715 .299 .509 .17 |
|
O1 .614 .490 .166 .17 |
|
O2 .394 .188 .053 .17 |
|
O3 .615 .184 .806 .17 |
|
O4 .747 .153 .174 .17 |
|
O5 .988 .149 .910 .17 |
|
OH6 .229 .165 .300 .17 |
|
O7 .850 .130 .486 .17 |
|
OH8 .192 .210 .685 .17 |
|
O9 .530 .215 .565 .17 |
|
O10 .743 .336 .999 .17 |
|
O11 .643 .368 .393 .17 |
|
O12 .836 .482 .581 .17 |
|
O13 .112 .510 .170 .17 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kazakovite |
 |
Voronkov A A, Pudovkina Z V, Blinov V A, Ilyukhin V V, Pyatenko Y A |
|   |
Doklady Akademii Nauk SSSR 245 (1979) 106-109 |
|
Crystal structure of kazakovite Na6Mn{Ti[Si6O18]} |
|
_database_code_amcsd 0012462 |
|
7.310 7.310 7.310 88.11 88.11 88.11 R-3m |
|
atom x y z occ Biso |
|
Na1 0 0 .5 1.59 |
|
Na2 .5 .5 0 2.08 |
|
Mn .2438 .2438 .2438 .5 1.60 |
|
Ti 0 0 0 .22 |
|
Si .2791 .2791 .7348 .78 |
|
O1 .2133 .2133 .5472 1.98 |
|
O2 .1843 .1843 .9149 1.46 |
|
O3 .2416 .7584 .5 1.83 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gorgeyite |
 |
Mukhtarova N N, Kalinin V R, Rastsvetaeva R K, Ilyukhin V V, Belov N V |
|   |
Doklady Akademii Nauk SSSR 252 (1980) 102-105 |
|
Crystal structure of gorgeyite K2Ca5(SO4)6*H2O |
|
_database_code_amcsd 0012466 |
|
17.519 18.252 6.840 90 90 113.33 B2/b |
|
atom x y z Biso |
|
K .06662 .08944 .10865 1.70 |
|
Ca1 .14857 .48314 .42274 .57 |
|
Ca2 .28210 .20681 .37465 .59 |
|
Ca3 .5 .25 .08789 .63 |
|
S1 .36792 .08811 .41503 .54 |
|
S2 .42453 .38308 .09998 .52 |
|
S3 .21580 .34618 .38849 .50 |
|
O1 .10118 .42389 .1067 1.13 |
|
O2 .13631 .34132 .4722 1.07 |
|
O3 .41207 .17381 .3614 1.10 |
|
O4 .38070 .03539 .2693 1.05 |
|
O5 .27828 .07444 .4247 .94 |
|
O6 .20250 .28060 .2256 1.14 |
|
O7 .26207 .42879 .3288 .99 |
|
O8 .39780 .31376 .2344 1.12 |
|
O9 .14414 .12189 .4669 1.01 |
|
O10 .23774 .17762 .0397 .99 |
|
O11 .44686 .45739 .2109 1.24 |
|
O12 .00564 .11918 .4841 1.00 |
|
Wat13 0 .25 .2308 2.48 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Imandrite |
 |
Chernitsova N M, Pudovkina Z V, Voronkov A A, Ilyukhin V V, Pyatenko Y A |
|   |
Doklady Akademii Nauk SSSR 252 (1980) 618-621 |
|
Imandrite Na12Ca3Fe2[Si6O18]2 - a representative of |
|
a new branch in the lovozerite structural family |
|
_database_code_amcsd 0012468 |
|
10.331 10.546 7.426 90 90 90 Pmnn |
|
atom x y z occ Biso |
|
Na1 0 0 .5 .19 |
|
Na2 .2407 .2334 .0207 1.61 |
|
Na3 .5 0 0 3.97 |
|
Ca .5 .2549 .7563 .75 .96 |
|
Fe 0 0 0 .99 |
|
Si1 .2723 .9920 .7152 .69 |
|
Si2 .5 .2184 .2564 .77 |
|
O1 0 .199 .935 2.04 |
|
O2 .128 .376 .755 2.38 |
|
O3 .5 .290 .073 1.50 |
|
O4 .364 .444 .697 1.68 |
|
O5 .329 .121 .787 1.94 |
|
O6 .240 0 .5 2.89 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Catapleiite |
 |
Ilyushin G D, Voronkov A A, Ilyukhin V V, Nevskii N N, Belov N V |
|   |
Doklady Akademii Nauk SSSR 260 (1981) 623-627 |
|
Crystal structure of natural monoclinic catapleiite, Na2ZrSi3O9*2H2O |
|
_database_code_amcsd 0012471 |
|
23.917 20.148 7.432 90 90 147.46 B2/b |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 .5 .6667 .043819 .026807 .030703 .029042 -.001815 -.000371 |
|
Na2 .25 0 .25 .6667 .066577 .046442 .053624 .043788 -.004157 .006252 |
|
Na3 .25 0 .75 .6667 .010880 .005263 .023545 .006437 .002989 -.003729 |
|
Na4 0 .25 .5059 .6667 .032274 .039731 .019321 .034390 .000000 .000000 |
|
Na5 .2531 .2550 .7568 .6667 .026275 .030369 .028683 .026057 .004562 .010089 |
|
Zr1 0 0 0 .013546 .011689 .012244 .011243 .000282 -.000093 |
|
Zr2 0 .25 .0074 .012794 .010974 .011236 .010471 .000000 .000000 |
|
Si1 .0976 .2221 .2996 .006324 .005217 .004486 .005144 -.001313 -.001331 |
|
Si2 .0995 .2252 .7077 .007604 .006589 .003337 .006294 .001722 .001290 |
|
Si3 .1972 .5723 .9985 .004183 .003723 .006391 .003268 .000081 .000181 |
|
O1 .3661 .9233 .4912 .022414 .029674 .026378 .024586 -.002138 -.002760 |
|
O2 .3666 .0586 .5100 .019021 .008094 .030548 .010321 -.000672 -.000928 |
|
O3 .0493 .1747 .5045 .009163 .014371 .006936 .008104 .000732 .000456 |
|
O4 .0711 .1285 .8027 .024338 .017391 .025717 .018152 .005997 .010263 |
|
O5 .0641 .2558 .8058 .026001 .030613 .023728 .026926 .005154 -.000525 |
|
O6 .2265 .3544 .6779 .006413 .009724 .007651 .004717 -.001085 -.001768 |
|
O7 .0620 .1203 .2020 .030852 .020046 .020921 .022640 -.003884 -.007471 |
|
O8 .0690 .2625 .2062 .031777 .025311 .022799 .026254 -.003976 .000952 |
|
O9 .2239 .3455 .3262 .009995 .014074 .009649 .008193 -.006103 -.004056 |
|
Wat1 .3315 .0362 .0078 .057238 .054624 .066070 .045751 -.004058 .001368 |
|
Wat2 .3371 .8816 .9908 .061917 .055961 .054355 .048617 -.007065 -.002559 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hilairite |
 |
Ilyushin G D, Voronkov A A, Nevskii N N, Ilyukhin V V, Belov N V |
|   |
Doklady Akademii Nauk SSSR 260 (1981) 1118-1120 |
|
Crystal structure of hilairite, Na2ZrSi3O9*3H2O |
|
_database_code_amcsd 0012472 |
|
10.556 10.556 15.855 90 90 120 R32 |
|
atom x y z occ Biso |
|
Na1 0 0 .1970 .800 7.9 |
|
Na2 .3888 0 .5 .678 2.6 |
|
Zr1 0 0 0 1.19 |
|
Zr2 0 0 .5 1.00 |
|
Si .4174 .4128 .2486 .72 |
|
O1 .0921 .1846 .0768 1.19 |
|
O2 .0989 .1902 .5720 1.18 |
|
O3 .6539 0 0 1.19 |
|
O4 .6434 0 .5 1.22 |
|
Wat .5000 .1460 .0630 3.63 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca O4 Si Sr |
| |
Il'inets A, Nevskii N, Ilyukhin V, Bikbau M, Belov N |
|   |
Doklady Akademii Nauk SSSR 267 (1982) 641-644 |
|
The crystal structure of alpha'-modification of dicalcium silicate Ca |
|
(Ca, Sr) Si O4 |
|
_cod_database_code 1100022 |
|
_database_code_amcsd 0018223 |
|
20.871 9.496 5.600 90 90 90 Pna2_1 |
|
atom x y z |
|
Sr1 .279 .421 .740 |
|
Sr2 .445 .078 .766 |
|
Sr3 .111 .078 .752 |
|
Ca1 .001 .200 .267 |
|
Ca2 .335 .200 .237 |
|
Ca3 .168 .299 .246 |
|
Si1 .259 .083 .740 |
|
Si2 .427 .416 .749 |
|
Si3 .092 .416 .760 |
|
O1 .111 .065 .318 |
|
O2 .445 .067 .322 |
|
O3 .249 .194 .531 |
|
O4 .065 .328 .987 |
|
O5 .227 .156 .981 |
|
O6 .083 .309 .542 |
|
O7 .281 .436 .3 |
|
O8 .333 .061 .820 |
|
O9 .166 .431 .813 |
|
O10 .403 .328 .978 |
|
O11 .002 .056 .753 |
|
O12 .403 .341 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Lovozerite |
 |
Ilyukhin V V, Belov N V |
|   |
Soviet Physics - Crystallography 5 (1960) 186-198 |
|
Derivation of the structure of lovozerite from sections of the three-dimensional Patterson function |
|
_database_code_amcsd 0015541 |
|
10.48 10.2 7.33 90 92.5 90 C2 |
|
atom x y z occ Biso |
|
Zr 0 0 0 1.75 |
|
Si1 .2110 .4950 .2650 1.75 |
|
Si2 .4950 .2320 .7090 1.75 |
|
Si3 .48 .782 .709 1.75 |
|
O1 .188 .020 .893 1.75 |
|
O2 .270 .495 .470 1.75 |
|
O3 .371 .135 .740 1.75 |
|
O4 .375 .870 .780 1.75 |
|
O5 .628 .170 .754 1.75 |
|
O6 .610 .840 .813 1.75 |
|
O7 .5 .275 .5 1.75 |
|
O8 .5 .745 .5 1.75 |
|
O9 .040 .855 .176 1.75 |
|
O10 .066 .135 .196 1.75 |
|
Na1 .248 .246 0 1.75 |
|
Na2 0 .015 .5 .5 1.75 |
|
OH2 0 .015 .5 .5 1.75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Innelite |
 |
Chernov A N, Ilyukhin V V, Maksimov B A, Belov N V |
|   |
Soviet Physics - Crystallography 16 (1971) 65-69 |
|
Crystal structure of innelite - Na2Ba3(Ba,K,Mn)(Ca,Na)Ti(TiO2)2[Si2O7]2(SO4)2 |
|
Locality: Inaglinskii Massif, Southern Yakusk, Russia |
|
_database_code_amcsd 0015554 |
|
14.76 7.14 5.38 90 95 99 P1 |
|
atom x y z occ |
|
Na1 .681 .423 .270 |
|
Na2 .677 .662 .761 |
|
NaM .678 .149 .784 .33 |
|
CaM .678 .149 .784 .16 |
|
MgM .678 .149 .784 .27 |
|
FeM .678 .149 .784 .2 |
|
Ba1 0 0 0 |
|
Ba2 .299 .293 .0624 |
|
Ba3 .0784 .537 .513 |
|
Ba4 .302 .842 .575 |
|
Ti1 .488 .368 .602 |
|
Ti2 .677 .916 .319 |
|
Ti3 .889 .480 .976 |
|
Si1 .495 .652 .108 |
|
Si2 .500 .0791 .0982 |
|
Si3 .877 .195 .473 |
|
Si4 .875 .760 .474 |
|
S1 .204 .705 .045 |
|
S2 .164 .122 .528 |
|
O1 .452 .858 .106 |
|
O2 .610 .895 .606 |
|
O3 .919 .295 .233 |
|
O4 .447 .542 .845 |
|
O5 .0957 .689 .0458 |
|
O6 .918 .288 .733 |
|
O7 .771 .445 .952 |
|
O8 .763 .742 .452 |
|
O9 .125 .212 .767 |
|
O10 .129 .217 .295 |
|
O11 .130 .919 .558 |
|
O12 .264 .150 .561 |
|
O13 .234 .615 .284 |
|
O14 .238 .619 .833 |
|
O15 .244 .919 .0721 |
|
O16 .917 .675 .233 |
|
O17 .919 .686 .741 |
|
O18 .599 .407 .605 |
|
O19 .451 .172 .867 |
|
O20 .453 .148 .348 |
|
O21 .450 .538 .333 |
|
O22 .915 .994 .495 |
|
O23 .767 .127 .444 |
|
O24 .600 .114 .127 |
|
O25 .607 .683 .108 |
|
O26 .752 .919 .0167 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tundrite-(Ce) |
 |
Shumyatskaya N G, Voronkov A A, Ilyukhin V V, Belov N V |
|   |
Soviet Physics - Crystallography 21 (1976) 399-405 |
|
Tundrite, Na2Ce2TiO2[SiO4](CO3)2 - |
|
refinement of the crystal structure and chemical formula |
|
Locality: Khibiny Massif, Kola Peninsula, Russia |
|
Note: y(O11) adjusted to match reported bond lengths |
|
_database_code_amcsd 0015572 |
|
7.560 13.957 5.040 101.12 70.87 100.02 P-1 |
|
atom x y z Biso |
|
Na1 0 0 .5 1.82 |
|
Na2 .1405 .4747 .1748 2.08 |
|
Na3 .5 .5 .5 3.26 |
|
Ce1 .6565 .7787 .5923 .83 |
|
Ce2 .2181 .7776 .3103 1.04 |
|
Ti .6100 .9997 .1947 .10 |
|
Si .9610 .8578 .9115 .37 |
|
C1 .7914 .3534 .2433 1.22 |
|
C2 .5993 .6535 .0623 .71 |
|
O1 .9335 .7563 .7068 .66 |
|
O2 .7925 .9172 .9089 .81 |
|
O3 .1613 .9167 .7245 .70 |
|
O4 .9563 .8430 .2243 .88 |
|
O5 .4053 .9185 .0677 .81 |
|
O6 .5504 .9189 .4993 .74 |
|
O7 .8735 .3813 .9915 .01 |
|
O8 .8096 .4043 .4623 2.41 |
|
O9 .3343 .3761 .7702 1.46 |
|
O10 .4046 .3923 .1771 1.37 |
|
O11 .3076 .7358 .7489 1.24 |
|
O12 .5458 .7415 .1339 .91 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Djerfisherite |
 |
Dmitrieva M T, Ilyukhin V V, Bokii G B |
|   |
Soviet Physics - Crystallography 24 (1979) 683-685 |
|
Close packing and cation arrangement in the djerfisherite structure |
|
Locality: Khibiny massif, Kola peninsula, Russia |
|
_database_code_amcsd 0015579 |
|
10.465 10.465 10.465 90 90 90 Pm-3m |
|
atom x y z occ Biso |
|
K .5 .5 .201 1.12 |
|
Na 0 0 0 .78 |
|
Fe .131 .369 .131 .75 .96 |
|
Cu .131 .369 .131 .25 .96 |
|
S1 .5 .25 0 .96 |
|
S2 0 .25 0 .78 |
|
S3 .272 .272 .272 .90 |
|
Cl .5 .5 .5 .99 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Reinhardbraunsite |
 |
Kuznetsova T P, Nevskii N N, Ilyukhin V V, Belov N V |
|   |
Soviet Physics - Crystallography 25 (1980) 91-92 |
|
Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4 |
|
Locality: synthetic |
|
_database_code_amcsd 0015581 |
|
8.9207 11.4481 5.0759 90 90 108.32 P2_1/b |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 0 0 0 .00152 .00112 .00358 .00011 -.00143 -.00056 |
|
Ca2 .1875 .3301 .0004 .00152 .00087 .00550 .00092 -.00053 .00053 |
|
Ca3 .4185 .1195 -.0100 .00151 .00122 .00544 .00104 .00123 .00003 |
|
Si1 .2006 .1452 .4259 .00107 .00090 .00212 .00074 .00008 .00016 |
|
O1 .2065 .0156 .2946 .00246 .00116 .00576 .00146 -.00029 -.00015 |
|
O2 .0442 .1699 .2961 .00166 .00147 .00704 .00163 .00000 .00077 |
|
O3 .3534 .2524 .2984 .00148 .00114 .00779 .00032 .00076 .00032 |
|
O4 .1996 .1464 .7450 .00238 .00158 .00452 .00107 .00024 .00068 |
|
OH5 .4006 .4422 .7448 .00367 .00382 .03290 .01255 .04120 .01630 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Khibinskite |
 |
Chernov A N, Maksimov B A, Ilyukhin V V, Belov N V |
|   |
Soviet Physics Doklady 15 (1971) 711-713 |
|
Crystalline structure of monoclinic modification of K,Zr-diorthosilicate |
|
(K2ZrSi2O7) |
|
Locality: synthetic |
|
_database_code_amcsd 0015597 |
|
9.54 14.26 5.60 90 90 116.517 P2_1/b |
|
atom x y z |
|
K1 .035 .426 .264 |
|
K2 .482 .592 .260 |
|
Zr .237 .232 .253 |
|
Si1 .172 .369 .744 |
|
Si2 .336 .114 .741 |
|
O1 .004 .629 .264 |
|
O2 .309 .492 .795 |
|
O3 .476 .316 .232 |
|
O4 .217 .342 .464 |
|
O5 .185 .296 .935 |
|
O6 .245 .111 .007 |
|
O7 .265 .148 .540 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Thalenite-(Y) |
 |
Kornev A N, Batalieva N G, Maksimov B A, Ilyukhin V V, Belov N V |
|   |
Soviet Physics Doklady 17 (1972) 88-90 |
|
Crystal structure of the talenite Y3 [Si3O10](OH) |
|
Locality: Russia |
|
_database_code_amcsd 0015599 |
|
10.343 7.294 11.093 90 90 96.917 P2_1/n |
|
atom x y z occ Biso |
|
YI .312 .905 .230 .95 1.45 |
|
FeI .312 .905 .230 .05 1.45 |
|
YII -.017 .237 .534 .95 1.80 |
|
FeII -.017 .237 .534 .05 1.80 |
|
YIII .497 .301 .402 .95 1.86 |
|
FeIII .497 .301 .402 .05 1.86 |
|
Si1 .111 .232 .245 .95 1.57 |
|
Al1 .111 .232 .245 .05 1.57 |
|
Si2 .209 .493 .039 .95 1.36 |
|
Al2 .209 .493 .039 .05 1.36 |
|
Si3 .741 .023 .085 .95 1.33 |
|
Al3 .741 .023 .085 .05 1.33 |
|
O1 .981 .260 .318 1.35 |
|
O2 .119 .023 .231 1.01 |
|
O3 .365 .469 .018 2.07 |
|
O4 .123 .325 .114 1.83 |
|
O5 .230 .340 .325 1.63 |
|
O6 .369 .023 .414 2.07 |
|
O7 .362 .012 .026 2.19 |
|
O8 .690 .181 .391 .99 |
|
O9 .700 .211 .143 1.65 |
|
O10 .893 .042 .047 1.94 |
|
OH11 .440 .196 .218 1.14 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sorensenite |
 |
Maksimova N V, Ilyukhin V V, Belov N V |
|   |
Soviet Physics Doklady 18 (1974) 681-682 |
|
Crystal structure of sorensenite |
|
_database_code_amcsd 0015600 |
|
20.78 7.45 12.05 90 117.1 90 Cc |
|
atom x y z |
|
Na1 .304 .227 .452 |
|
Na2 .198 .771 .059 |
|
Na3 .511 .948 .473 |
|
Na4 .999 .048 .487 |
|
Sn .4998 .2371 .2465 |
|
Be1 .248 .093 .989 |
|
Be2 .251 .408 .010 |
|
Si1 .3534 .0527 .2382 |
|
Si2 .1469 .5366 .2469 |
|
Si3 .3544 .4445 .2450 |
|
Si4 .1453 .9605 .2509 |
|
Si5 .1348 .2388 .0539 |
|
Si6 .3684 .7624 .4454 |
|
O1 .067 .956 .244 |
|
O2 .065 .561 .234 |
|
O3 .292 .965 .110 |
|
O4 .298 .523 .119 |
|
O5 .136 .081 .134 |
|
O6 .355 .933 .352 |
|
O7 .168 .747 .220 |
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O8 .198 .254 .014 |
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O9 .049 .738 .438 |
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O10 .436 .449 .261 |
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O11 .431 .039 .237 |
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O12 .209 .474 .381 |
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O13 .212 .036 .375 |
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O14 .366 .578 .367 |
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O15 .150 .431 .127 |
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O16 .337 .248 .270 |
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O17 .306 .255 .988 |
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O18 .449 .259 .058 |
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Wat19 .073 .212 .392 |
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Wat20 .438 .747 .096 |
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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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Thoreaulite |
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Maksimova N V, Ilyukhin V V, Belov N V |
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Soviet Physics Doklady 20 (1975) 528-529 |
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Crystal structure of thoreaulite, SaTa2O6 |
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Locality: Manono, Katanga, Democratic Republic of the Congo |
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_database_code_amcsd 0015601 |
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17.11299 4.872 5.548 90 90.59 90 Cc |
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atom x y z Biso |
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Sn .0028 .2295 .2678 .69 |
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Ta1 .1693 .2455 .6743 .65 |
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Ta2 .3297 .2548 .3390 .66 |
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O1 .0725 .0914 .6033 .79 |
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O2 .4289 .4233 .4107 .62 |
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O3 .1411 .4706 .9218 .69 |
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O4 .3573 .0484 .0619 .54 |
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O5 .2196 .0567 .3490 .53 |
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O6 .2817 .4297 .6399 .59 |
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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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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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|
| 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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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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|
| 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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