American Mineralogist Crystal Structure Database

1 matching records for this search.

Bayleyite
Download hom/bayleyite.pdf
Mayer H, Mereiter K
 
Tschermaks Mineralogische und Petrographische Mitteilungen 35 (1986) 133-146
Synthetic bayleyite, Mg2[UO2(CO3)3]*18H2O: Thermochemistry, crystallography
and crystal structure
Locality: synthetic
_database_code_amcsd 0015706
26.560 15.256 6.505 90 92.90 90 P2_1/a
atom         x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1          0      0      0      2.1   .022   .034   .023  -.003   .000   .000
Mg2         .5      0      0      2.2   .028   .028   .027  -.002   .005   .000
Mg3     .23864 .28485  .0223      2.2   .031   .029   .023  -.005   .001   .001
U       .16496 .02120  .4872      1.5   .017   .021   .019          .002  -.003
O1      .17694  .0138  .7597      2.6   .034   .040   .025   .007   .000  -.004
O2      .15253  .0287  .2155      2.6   .033   .042   .023   .000   .002  -.003
C1      .27154  .0276  .4332      2.2   .024   .029   .031   .000   .005  -.003
O11     .24439  .0972  .4631      2.9   .023   .026   .061  -.001   .007   .000
O12     .24735 -.0452  .4395      2.9   .024   .024   .060  -.003   .011  -.010
O13     .31811  .0323  .4078      2.9   .020   .040   .052   .001   .007  -.004
C2      .11505 -.1475  .4907      2.4   .027   .023   .041  -.002   .000   .002
O21     .16303 -.1370  .4593      2.6   .023   .027   .047   .002   .004  -.005
O22     .09142 -.0740  .5216      2.4   .023   .025   .042   .000   .005   .000
O23     .09537 -.2202  .4953      4.8   .031   .029   .123  -.007   .018  -.008
C3      .10844  .1811  .5418      2.1   .029   .028   .021   .001   .001  -.001
O31     .08686  .1038  .5326      2.2   .020   .024   .040  -.002   .002  -.001
O32      .1568  .1801  .5208      2.3   .019   .031   .038   .000   .005  -.005
O33     .08378  .2497  .5704      2.8   .029   .023   .054   .005   .004  -.002
OW1    -.00218  .0698 -.2729      3.1   .027   .066   .026  -.004   .001   .012
OW2     .02728  .1076  .1574      3.4   .051   .043   .033  -.016  -.007  -.001
OW3     .07226 -.0424 -.0554      3.0   .026   .061   .029  -.002   .003  -.007
OW4     .47544  .1199 -.1115      3.5   .052   .039   .043   .009   .007   .007
OW5     .56726  .0611  .1043      2.8   .028   .045   .033  -.001   .004   .000
OW6     .46946  .0286  .2739      3.3   .048   .040   .036  -.010   .017  -.009
Wat7a    .2357  .4183  .0827  .5  3.2
Wat7b    .2146  .3987  .1544  .5  3.8
Wat8a    .3114  .3068 -.0828  .5  3.6
Wat8b    .3068  .3456 -.0432  .5  2.6
Wat9a    .2442  .1530 -.0635  .5  3.4
Wat9b    .2636  .1695 -.1141  .5  3.8
Wat10a   .1699  .2585  .1360  .5  2.8
Wat10b   .1739  .2132  .0759  .5  3.6
OW11    .20505  .3174 -.2581      3.2   .054   .042   .027  -.020  -.004   .008
OW12    .27017  .2541  .3070      3.4   .057   .034   .037  -.016  -.013   .011
OW13    .15151  .5219 -.0080      3.7   .046   .051   .045   .000   .008   .002
OW14    .59825  .0726  .5168      2.9   .030   .032   .047   .000   .004  -.004
OW15    .48876  .1834  .4905      3.4   .031   .035   .063   .000  -.002  -.004
OW16    .07168  .2539 -.0067      3.8   .059   .036   .049   .005   .005  -.002
OW17    .14850  .6487  .2996      5.5   .109   .048   .052   .024   .000   .002
Wat18   .41382  .2467  .0620     10.0   .158   .130   .093   .080  -.040  -.040
H1a       -.03   .066  -.372      4.7
H1b       .028   .072  -.346      4.7
H2a       .043   .102   .292      4.7
H2b       .035   .165   .107      4.7
H3a       .102  -.014      0      4.7
H3b       .078  -.058  -.195      4.7
H4a       .474   .134  -.256      4.7
H4b       .455   .161  -.044      4.7
H5a       .594   .031   .041      4.7
H5b       .575   .061    .25      4.7
H6a       .447  -.006   .349      4.7
H6b       .476   .082    .35      4.7
H11a      .222   .361  -.337      4.7
H11b      .191   .274  -.352      4.7
H12a      .268   .199   .379      4.7
H12b      .296   .289   .376      4.7
H13a      .163   .532  -.144      4.7
H13b      .143   .577   .049      4.7
H14a      .632   .048   .529      4.7
H14b      .601   .135   .535      4.7
H15a      .462   .225   .507      4.7
H15b       .52   .215   .485      4.7
H16a      .063   .251  -.151      4.7
H16b      .065   .312    .04      4.7
H17a      .154   .614   .421      4.7
H17b      .129   .699   .336      4.7
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