American Mineralogist Crystal Structure Database

18 matching records for this search.

Dellaite
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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
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Kazakovite
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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
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Gorgeyite
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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
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Imandrite
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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
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Catapleiite
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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
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Hilairite
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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
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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
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Lovozerite
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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
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Innelite
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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
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Tundrite-(Ce)
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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
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Djerfisherite
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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
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Reinhardbraunsite
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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
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Khibinskite
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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
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Thalenite-(Y)
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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
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Sorensenite
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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
O8     .198  .254  .014
O9     .049  .738  .438
O10    .436  .449  .261
O11    .431  .039  .237
O12    .209  .474  .381
O13    .212  .036  .375
O14    .366  .578  .367
O15    .150  .431  .127
O16    .337  .248  .270
O17    .306  .255  .988
O18    .449  .259  .058
Wat19  .073  .212  .392
Wat20  .438  .747  .096
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Thoreaulite
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Maksimova N V, Ilyukhin V V, Belov N V
 
Soviet Physics Doklady 20 (1975) 528-529
Crystal structure of thoreaulite, SaTa2O6
Locality: Manono, Katanga, Democratic Republic of the Congo
_database_code_amcsd 0015601
17.11299 4.872 5.548 90 90.59 90 Cc
atom     x     y     z Biso
Sn   .0028 .2295 .2678  .69
Ta1  .1693 .2455 .6743  .65
Ta2  .3297 .2548 .3390  .66
O1   .0725 .0914 .6033  .79
O2   .4289 .4233 .4107  .62
O3   .1411 .4706 .9218  .69
O4   .3573 .0484 .0619  .54
O5   .2196 .0567 .3490  .53
O6   .2817 .4297 .6399  .59
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Rustumite
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Nevskii N N, Ilyukhin V V, Khaui R A, Belov N V
 
Soviet Physics Doklady 24 (1979) 812-814
The crystal structure of rustumite
_database_code_amcsd 0015606
7.62 18.54999 15.51 90 104.3 90 C2/c
atom     x     y     z Biso
Ca1  .2582 .3520 .2498  .95
Ca2  .4399 .3024 .6192  .96
Ca3  .5760 .2068 .4039  .95
Ca4  .3298 .0232 .4017 1.02
Ca5  .3106 .5148 .3964  .93
Si1  .4420 .6319 .5614  .76
Si2  .3692 .1340 .5643  .83
Si3     .5 .5276   .25  .82
O1   .3349 .3786 .4161  .99
O2   .4782 .1759 .6518  .96
O3   .4318 .0523 .5559 1.18
O4   .4629 .5760 .1594  .95
O5   .3503 .1770 .4725 1.10
O6   .3767 .6870 .4777 1.05
O7   .4236 .3277 .1516 1.36
O8   .3168 .4778 .2481 1.07
O9   .3695 .4476 .0429 1.19
Cl   .2384 .2961 .7458 1.28
OH10 .0560 .5881 .3535 1.23
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Kostylevite
Download hom/kostylevite.pdf
Ilyukhin V V, Khomyakov A P, Shumyatskaya N G, Voronkov A A, Nevskii N N,
Belov N V
 
Soviet Physics Doklady 26 (1981) 118-120
The crystal structure of the new natural zirconosilicate K4Zr2Si6O18*2H2O
Locality: Khibinsk massif, Kola Peninsula, Russia
Note: dimorphic with umbite
Note: y(O7) corrected
_database_code_amcsd 0015609
6.565 13.171 11.727 90 90 105.26 P2_1/b
atom     x     y     z Biso
K1   .7950 .0853 .5484 1.78
K2   .6816 .8849 .8831 3.03
Zr   .1223 .2205 .7834  .72
Si1  .8438 .1557 .0275  .68
Si2  .5885 .1513 .8132  .64
Si3  .7909 .0181 .2357  .61
O1   .8037 .2003 .7470 1.06
O2   .0573 .1920 .9536 1.24
O3   .4391 .2298 .8145 1.20
O4   .1649 .3775 .8129 1.12
O5   .1943 .2557 .6115 1.20
O6   .0770 .0636 .7326 1.21
O7   .6372 .1188 .9436 1.41
O8   .8495 .0525 .1024 1.38
O9   .4662 .0376 .7568 1.01
Wat  .4029 .1243 .4927 2.83
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Total number of retrieved datasets: 18
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