American Mineralogist Crystal Structure Database

1 matching records for this search.

Linekite
 
Hughes Kubatko K A, Burns P C
Download cm/vol42/CM42_997.pdf
The Canadian Mineralogist 42 (2004) 997-1003
The crystal structure of a novel uranyl tricarbonate, K2Ca3[(UO2)(CO3)3]2(H2O)6
Locality: synthetic
_database_code_amcsd 0019771
17.015 18.048 18.394 90 90 90 Pnnm
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
U1    .23291  .01077       0     .02196  .0263  .0241  .0154  .0064   .0000  .0000
U2    .23301 -.52808       0     .02249  .0250  .0273  .0152 -.0081   .0000  .0000
U3    .20784 -.26067 -.22558     .01988  .0206  .0168  .0223 .00022 -.00429 .00081
Ca1   .32298 -.07042 -.18713      .0184  .0201  .0179  .0170  .0017  -.0010 -.0005
Ca2   .32528 -.45012 -.18652      .0182  .0209  .0178  .0158 -.0011  -.0011 -.0002
Ca3    .4675  -.2592       0      .0248   .032  .0222  .0204  .0012   .0000  .0000
Ca4    .0645  -.6835       0      .0283   .028   .031   .026 -.0076   .0000  .0000
K1         0       0       0 .83   .066   .033   .110   .054   .001    .000   .000
K2    -.2199  -.2704  -.2147 .80   .065   .043   .106   .045  -.009    .005   .019
K3     .2200  -.2245       0 .45   .044   .044   .054   .035   .000    .000   .000
K4         0      .5  -.1643 .50   .086   .070   .107   .080   .018    .000   .000
K5      .716   -.242       0 .25    .11    .07    .12    .17   -.01     .00    .00
K6     .5372  -.4707  -.0375 .17   .042   .031   .036   .060   .025   -.018  -.018
C1     .3599  -.2600   .1544       .022   .024   .019   .022   .001    .003   .001
C2     .1379  -.1233  -.2663       .026   .023   .019   .036   .004   -.004   .004
C3     .1387  -.3995  -.2636       .027   .023   .026   .033   .000   -.005  -.005
C4     .1704  -.5837  -.1360       .023   .027   .024   .020  -.003   -.002   .002
C5     .3576  -.0962       0       .042   .059   .037   .029   .029    .000   .000
C6     .1665   .0559   .1362       .027   .026   .036   .018   .005    .005   .001
C7A     .359   -.422       0  .5   .019    .02    .02   .017  -.016    .000   .000
C7B     .329   -.393       0  .5   .029    .05    .02    .02    .00     .00    .00
O1     .2025  -.1254  -.2291       .029   .023   .025   .040   .002   -.011   .000
O2     .4268  -.2603   .1277       .027   .025   .024   .032  -.002    .010   .001
O3     .2066  -.3961  -.2316       .030   .027   .020   .042   .002   -.012   .001
O4     .1018  -.1864  -.2749       .034   .022   .022   .059  -.004   -.016   .007
O5     .2273   .0125  -.1342       .031   .036   .038   .021   .015    .003   .001
O6     .1420   .0794   .0730       .033   .037   .043   .018   .019    .002   .000
O7     .2557  -.2601  -.3115       .034   .039   .037   .027  -.003    .003  -.004
O8     .1040  -.3376  -.2716       .038   .030   .023   .062   .005   -.025  -.005
O9     .1585  -.2618  -.1392       .037   .040   .039   .031  -.005    .007   .003
O10    .1642  -.0646       0       .040   .044   .038   .039  -.008    .000   .000
O11    .1577  -.4585       0       .039   .044   .035   .037   .004    .000   .000
O12    .3006   .0868       0       .037   .038   .036   .037  -.008    .000   .000
O13    .3098  -.5971       0       .040   .033   .048   .038   .004    .000   .000
O14    .2270  -.5346  -.1326       .031   .037   .038   .020  -.014    .000   .005
O15    .3197  -.2001   .1675       .039   .041   .017   .058  -.003    .030  -.004
O16    .1384  -.6037  -.1931       .030   .030   .042   .017  -.006   -.003  -.002
O17    .3228  -.3195   .1735       .039   .033   .018   .064   .000    .028  -.001
O18    .1501  -.6083  -.0719       .031   .038   .035   .019  -.018    .003   .001
O19    .1093  -.4599  -.2862       .035   .032   .019   .054  -.002   -.010  -.006
O20    .3289  -.0685  -.0593      .0381   .050   .054   .010   .022    .000  -.002
O21    .1101  -.0635  -.2902       .038   .028   .023   .063   .000   -.013   .009
O22    .1339   .0751  -.1932       .038   .047   .050   .017   .013    .004  -.002
O23    .3211  -.4413  -.0588       .046
O24    .4116  -.1437       0       .079
O25A    .420  -.3783       0  .5   .040
O25B    .352  -.3298       0  .5   .034
Wat26  .4617  -.4169  -.1582  .8   .038
Wat27  .4604  -.1003  -.1639  .8   .045
Wat28  .1191  -.7694   .0872  .8   .052
Wat29 -.0375  -.7828       0  .8   .072
Wat30 -.0253  -.6382  -.0929  .8   .083
Wat31  .5409  -.0427  -.0574  .8   .069
Wat32   .581  -.2515  -.0767  .8   .080
Wat33 -.0299  -.8900   .1248  .8   .053
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