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Mirabilite |
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Levy H A, Lisensky G C |
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Acta Crystallographica B34 (1978) 3502-3510 |
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Crystal structures of sodium sulfate decahydrate (Glauber's salt) and |
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sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction |
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Locality: Synthetic |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0009648 |
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11.512 10.370 12.847 90 107.789 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na2 .2547 .7472 .0145 .036 .037 .027 -.006 .014 -.003 |
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Na3 .2457 .6126 .7604 .037 .035 .028 .006 .009 .000 |
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S .2495 .3601 .2578 .025 .022 .018 .000 .007 .004 |
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O4' .2346 .3368 .3668 .247 .036 |
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O4" .2636 .2887 .3603 .753 .046 .033 .030 .005 .012 .008 |
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O5 .1438 .3106 .1718 .035 .043 .037 -.003 .002 -.004 |
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O6' .3598 .2813 .2546 .247 .044 |
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O6" .3576 .3443 .2238 .753 .032 .058 .040 -.003 .017 -.004 |
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O7' .2782 .4955 .2442 .247 .035 |
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O7" .2298 .4969 .2748 .753 .062 .024 .048 .003 .016 -.003 |
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O8 .1233 .4553 .6403 .039 .034 .039 .001 .004 .001 |
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O9 .3672 .4524 .8784 .035 .032 .045 -.003 .009 .003 |
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O10 .1018 .3467 .9456 .036 .052 .038 .002 .010 .000 |
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O11 .3967 .3471 .5799 .035 .043 .039 -.004 .009 -.001 |
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O12 .1131 .6102 .8778 .028 .038 .042 -.002 .012 -.003 |
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O13 .3880 .6092 .6498 .027 .043 .036 .001 .005 -.001 |
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O14 .1459 .7111 .1435 .029 .034 .035 -.003 .009 -.001 |
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O15 .3547 .7143 .3782 .028 .037 .033 .005 .009 .000 |
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O16 .1310 .5611 .4423 .037 .045 .042 -.005 .017 -.009 |
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O17 .3798 .5583 .0812 .035 .049 .048 .004 .017 .013 |
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H8A .1412 .3645 .6540 .058 .040 .058 .004 .006 .002 |
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H8B .1376 .4786 .5698 .5 .053 .059 .033 -.007 .020 -.003 |
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H8C .0323 .4529 .6187 .5 .042 .054 .055 .000 .007 .001 |
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H9A' .3588 .1238 .3515 .247 .079 |
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H9A" .3335 .1321 .3687 .753 .044 .028 .061 .008 .008 .004 |
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H9B .4557 .4428 .8835 .5 .046 .051 .071 -.008 .021 .003 |
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H9C .3669 .4784 .9535 .5 .065 .052 .035 .004 .018 .005 |
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H10A .1268 .3348 .0238 .046 .071 .039 .001 .008 .000 |
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H10B .1495 .2920 .9153 .054 .062 .052 .006 .018 -.005 |
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H11A .3485 .3329 .5044 .053 .058 .038 -.005 .002 -.002 |
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H11B .3691 .2868 .6235 .054 .058 .054 -.001 .024 .005 |
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H12A .1079 .5240 .9014 .043 .054 .054 -.004 .016 .005 |
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H12B .0300 .6402 .8509 .034 .071 .063 .008 .008 -.001 |
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H13A .3945 .5238 .6265 .044 .047 .059 .004 .011 -.001 |
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H13B .4725 .6341 .6861 .030 .066 .065 -.003 .004 -.003 |
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H14A .0592 .7017 .1118 .036 .053 .055 .000 .008 -.005 |
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H14B .1707 .6326 .1801 .052 .045 .047 -.001 .013 .000 |
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H15A .3246 .6333 .3450 .045 .044 .059 .001 .011 -.007 |
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H15B .4431 .7058 .3990 .028 .070 .058 .001 .013 .001 |
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H16A' .1749 .4897 .4145 .247 .075 |
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H16A" .1634 .5210 .3896 .753 .054 .057 .058 .004 .032 -.015 |
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H16B .0437 .5587 .4053 .5 .047 .045 .043 .001 .011 .000 |
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H16C .1418 .5091 .5128 .5 .059 .077 .040 -.005 .010 .005 |
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H17A' .3569 .5228 .1587 .247 .066 |
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H17A" .3633 .4972 .1314 .753 .060 .091 .034 -.009 .026 .017 |
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H17B .3648 .5124 .0119 .5 .039 .061 .060 .002 .007 .011 |
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H17C .4713 .5585 .1084 .5 .027 .076 .048 -.005 .010 .007 |
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| 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 |
|
Levy H, Lisensky G |
|
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 |
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_database_code_amcsd 0016635 |
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11.512 10.370 12.847 90 107.789 90 P2_1/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .2495 .3601 .2578 .025 .022 .018 .000 .007 .004 |
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Na1 .2547 .7472 .0145 .036 .037 .027 -.006 .014 -.003 |
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Na2 .2457 .6126 .7604 .037 .035 .028 .006 .009 .000 |
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O1 .2346 .3368 .3668 .247 |
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O2 .2636 .2887 .3603 .753 .046 .033 .030 .005 .012 .008 |
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O3 .1438 .3106 .1718 .035 .043 .037 -.003 .002 -.004 |
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O4 .3598 .2813 .2546 .247 |
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O5 .3576 .3443 .2238 .753 .032 .058 .040 -.003 .017 -.004 |
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O6 .2782 .4955 .2442 .247 |
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O7 .2298 .4969 .2748 .753 .062 .024 .048 .003 .016 -.003 |
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O8 .1233 .4553 .6403 .039 .034 .039 .001 .004 .001 |
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O9 .3672 .4524 .8784 .035 .032 .045 -.003 .009 .003 |
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O10 .1018 .3467 .9456 .036 .052 .038 .002 .010 .000 |
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O11 .3967 .3471 .5799 .035 .043 .039 -.004 .009 -.001 |
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O12 .1131 .6102 .8778 .028 .038 .042 -.002 .012 -.003 |
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O13 .3880 .6092 .6498 .027 .043 .036 .001 .005 -.001 |
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O14 .1459 .7111 .1435 .029 .034 .035 -.003 .009 -.001 |
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O15 .3547 .7143 .3782 .028 .037 .033 .005 .009 .000 |
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O16 .1310 .5611 .4423 .037 .045 .042 -.005 .017 -.009 |
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O17 .3798 .5583 .0812 .035 .049 .048 .004 .017 .013 |
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H1 .1412 .3645 .6540 .058 .040 .058 .004 .006 .002 |
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H2 .1376 .4786 .5698 .5 .053 .059 .033 -.007 .020 -.003 |
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H3 .0323 .4529 .6187 .5 .042 .054 .055 .000 .007 .001 |
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H4 .3588 .1238 .3515 .247 |
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H5 .3335 .1321 .3687 .753 .044 .028 .061 .008 .008 .004 |
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H6 .4557 .4428 .8835 .5 .046 .051 .071 -.008 .021 .003 |
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H7 .3669 .4784 .9535 .5 .065 .052 .035 .004 .018 .005 |
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H8 .1268 .3348 .0238 .046 .071 .039 .001 .008 .000 |
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H9 .1495 .2920 .9153 .054 .062 .052 .006 .018 -.005 |
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H10 .3485 .3329 .5044 .053 .058 .038 -.005 .002 -.002 |
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H11 .3691 .2868 .6235 .054 .058 .054 -.001 .024 .005 |
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H12 .1079 .5240 .9014 .043 .054 .054 -.004 .016 .005 |
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H13 .0300 .6402 .8509 .034 .071 .063 .008 .008 -.001 |
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H14 .3945 .5238 .6265 .044 .047 .059 .004 .011 -.001 |
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H15 .4725 .6341 .6861 .030 .066 .065 -.003 .004 -.003 |
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H16 .0592 .7017 .1118 .036 .053 .055 .000 .008 -.005 |
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H17 .1707 .6326 .1801 .052 .045 .047 -.001 .013 .000 |
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H18 .3246 .6333 .3450 .045 .044 .059 .001 .011 -.007 |
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H19 .4431 .7058 .3990 .028 .070 .058 .001 .013 .001 |
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H20 .1749 .4897 .4145 .247 |
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H21 .1634 .5210 .3896 .753 .054 .057 .058 .004 .032 -.015 |
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H22 .0437 .5587 .4053 .5 .047 .045 .043 .001 .011 .000 |
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H23 .1418 .5091 .5128 .5 .059 .077 .040 -.005 .010 .005 |
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H24 .3569 .5228 .1587 .247 |
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H25 .3633 .4972 .1314 .753 .060 .091 .034 -.009 .026 .017 |
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H26 .3648 .5124 .0119 .5 .039 .061 .060 .002 .007 .011 |
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H27 .4713 .5585 .1084 .5 .027 .076 .048 -.005 .010 .007 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
