American Mineralogist Crystal Structure Database

2 matching records for this search.

Mirabilite
Download hom/mirabilite.pdf
Levy H A, Lisensky G C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=3502
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mirabilite
Download hom/mirabilite.pdf
Levy H, Lisensky G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=3502
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
_cod_database_code               1008758
_database_code_amcsd 0016635
11.512 10.370 12.847 90 107.789 90 P2_1/c
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .2495 .3601 .2578        .025   .022   .018   .000   .007   .004
Na1  .2547 .7472 .0145        .036   .037   .027  -.006   .014  -.003
Na2  .2457 .6126 .7604        .037   .035   .028   .006   .009   .000
O1   .2346 .3368 .3668 .247
O2   .2636 .2887 .3603 .753   .046   .033   .030   .005   .012   .008
O3   .1438 .3106 .1718        .035   .043   .037  -.003   .002  -.004
O4   .3598 .2813 .2546 .247
O5   .3576 .3443 .2238 .753   .032   .058   .040  -.003   .017  -.004
O6   .2782 .4955 .2442 .247
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
H1   .1412 .3645 .6540        .058   .040   .058   .004   .006   .002
H2   .1376 .4786 .5698   .5   .053   .059   .033  -.007   .020  -.003
H3   .0323 .4529 .6187   .5   .042   .054   .055   .000   .007   .001
H4   .3588 .1238 .3515 .247
H5   .3335 .1321 .3687 .753   .044   .028   .061   .008   .008   .004
H6   .4557 .4428 .8835   .5   .046   .051   .071  -.008   .021   .003
H7   .3669 .4784 .9535   .5   .065   .052   .035   .004   .018   .005
H8   .1268 .3348 .0238        .046   .071   .039   .001   .008   .000
H9   .1495 .2920 .9153        .054   .062   .052   .006   .018  -.005
H10  .3485 .3329 .5044        .053   .058   .038  -.005   .002  -.002
H11  .3691 .2868 .6235        .054   .058   .054  -.001   .024   .005
H12  .1079 .5240 .9014        .043   .054   .054  -.004   .016   .005
H13  .0300 .6402 .8509        .034   .071   .063   .008   .008  -.001
H14  .3945 .5238 .6265        .044   .047   .059   .004   .011  -.001
H15  .4725 .6341 .6861        .030   .066   .065  -.003   .004  -.003
H16  .0592 .7017 .1118        .036   .053   .055   .000   .008  -.005
H17  .1707 .6326 .1801        .052   .045   .047  -.001   .013   .000
H18  .3246 .6333 .3450        .045   .044   .059   .001   .011  -.007
H19  .4431 .7058 .3990        .028   .070   .058   .001   .013   .001
H20  .1749 .4897 .4145 .247
H21  .1634 .5210 .3896 .753   .054   .057   .058   .004   .032  -.015
H22  .0437 .5587 .4053   .5   .047   .045   .043   .001   .011   .000
H23  .1418 .5091 .5128   .5   .059   .077   .040  -.005   .010   .005
H24  .3569 .5228 .1587 .247
H25  .3633 .4972 .1314 .753   .060   .091   .034  -.009   .026   .017
H26  .3648 .5124 .0119   .5   .039   .061   .060   .002   .007   .011
H27  .4713 .5585 .1084   .5   .027   .076   .048  -.005   .010   .007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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