Mirabilite
Levy H A, Lisensky G C
Acta Crystallographica B34 (1978) 3502-3510
Crystal structures of sodium sulfate decahydrate (Glauber's salt) and
sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction
Locality: Synthetic
Note: anisoU's from ICSD
_database_code_amcsd 0009648
11.512 10.370 12.847 90 107.789 90 P2_1/c
atom      x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na2   .2547 .7472 .0145             .036   .037   .027  -.006   .014  -.003
Na3   .2457 .6126 .7604             .037   .035   .028   .006   .009   .000
S     .2495 .3601 .2578             .025   .022   .018   .000   .007   .004
O4'   .2346 .3368 .3668 .247 .036
O4"   .2636 .2887 .3603 .753        .046   .033   .030   .005   .012   .008
O5    .1438 .3106 .1718             .035   .043   .037  -.003   .002  -.004
O6'   .3598 .2813 .2546 .247 .044
O6"   .3576 .3443 .2238 .753        .032   .058   .040  -.003   .017  -.004
O7'   .2782 .4955 .2442 .247 .035
O7"   .2298 .4969 .2748 .753        .062   .024   .048   .003   .016  -.003
O8    .1233 .4553 .6403             .039   .034   .039   .001   .004   .001
O9    .3672 .4524 .8784             .035   .032   .045  -.003   .009   .003
O10   .1018 .3467 .9456             .036   .052   .038   .002   .010   .000
O11   .3967 .3471 .5799             .035   .043   .039  -.004   .009  -.001
O12   .1131 .6102 .8778             .028   .038   .042  -.002   .012  -.003
O13   .3880 .6092 .6498             .027   .043   .036   .001   .005  -.001
O14   .1459 .7111 .1435             .029   .034   .035  -.003   .009  -.001
O15   .3547 .7143 .3782             .028   .037   .033   .005   .009   .000
O16   .1310 .5611 .4423             .037   .045   .042  -.005   .017  -.009
O17   .3798 .5583 .0812             .035   .049   .048   .004   .017   .013
H8A   .1412 .3645 .6540             .058   .040   .058   .004   .006   .002
H8B   .1376 .4786 .5698   .5        .053   .059   .033  -.007   .020  -.003
H8C   .0323 .4529 .6187   .5        .042   .054   .055   .000   .007   .001
H9A'  .3588 .1238 .3515 .247 .079
H9A"  .3335 .1321 .3687 .753        .044   .028   .061   .008   .008   .004
H9B   .4557 .4428 .8835   .5        .046   .051   .071  -.008   .021   .003
H9C   .3669 .4784 .9535   .5        .065   .052   .035   .004   .018   .005
H10A  .1268 .3348 .0238             .046   .071   .039   .001   .008   .000
H10B  .1495 .2920 .9153             .054   .062   .052   .006   .018  -.005
H11A  .3485 .3329 .5044             .053   .058   .038  -.005   .002  -.002
H11B  .3691 .2868 .6235             .054   .058   .054  -.001   .024   .005
H12A  .1079 .5240 .9014             .043   .054   .054  -.004   .016   .005
H12B  .0300 .6402 .8509             .034   .071   .063   .008   .008  -.001
H13A  .3945 .5238 .6265             .044   .047   .059   .004   .011  -.001
H13B  .4725 .6341 .6861             .030   .066   .065  -.003   .004  -.003
H14A  .0592 .7017 .1118             .036   .053   .055   .000   .008  -.005
H14B  .1707 .6326 .1801             .052   .045   .047  -.001   .013   .000
H15A  .3246 .6333 .3450             .045   .044   .059   .001   .011  -.007
H15B  .4431 .7058 .3990             .028   .070   .058   .001   .013   .001
H16A' .1749 .4897 .4145 .247 .075
H16A" .1634 .5210 .3896 .753        .054   .057   .058   .004   .032  -.015
H16B  .0437 .5587 .4053   .5        .047   .045   .043   .001   .011   .000
H16C  .1418 .5091 .5128   .5        .059   .077   .040  -.005   .010   .005
H17A' .3569 .5228 .1587 .247 .066
H17A" .3633 .4972 .1314 .753        .060   .091   .034  -.009   .026   .017
H17B  .3648 .5124 .0119   .5        .039   .061   .060   .002   .007   .011
H17C  .4713 .5585 .1084   .5        .027   .076   .048  -.005   .010   .007