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H10 Na2 O8 S2 |
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Lisensky G, Levy H |
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Acta Crystallographica B34 (1978) 1975-1977 |
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Sodium thiosulfate pentahydrate: a redetermination by neutron diffraction |
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_cod_database_code 1008026 |
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_database_code_amcsd 0015973 |
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5.9522 21.618 7.543 90 103.804 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .1013 .0680 .1070 .0282 .0197 .0203 -.0006 .0028 -.0017 |
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S2 .1476 .1416 .2779 .0148 .0211 .0162 .0011 .0018 .0003 |
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Na1 .7232 .3412 .0743 .0237 .0299 .0250 -.0008 .0049 -.0007 |
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Na2 .2546 .4084 .2156 .0262 .0274 .0397 -.0010 .0043 .0002 |
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O1 .3378 .1278 .4346 .0250 .0434 .0235 .0002 -.0016 .0001 |
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O2 .9329 .1532 .3339 .0262 .0394 .0295 .0044 .0144 .0025 |
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O3 .2026 .1953 .1740 .0377 .0205 .0301 -.0039 .0152 .0002 |
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O4 .6225 .2345 .0988 .0263 .0309 .0401 -.0009 .0050 .0017 |
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O5 .0907 .3136 .2786 .0310 .0244 .0240 .0030 .0055 -.0006 |
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O6 .6161 .3678 .3565 .0240 .0391 .0291 -.0005 .0035 .0033 |
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O7 .8636 .4480 .1096 .0352 .0250 .0313 .0008 .0034 -.0003 |
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O8 .6455 .0151 .2459 .0298 .0311 .0398 .0024 .0073 .0051 |
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H1 .4817 .2239 .1339 .0362 .0535 .0557 -.0027 .0141 -.0004 |
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H2 .7410 .2133 .1871 .0359 .0562 .0483 .0049 .0011 .0021 |
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H3 .1364 .2734 .2453 .0464 .0330 .0459 .0040 .0129 -.0063 |
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H4 .1078 .3117 .4087 .0516 .0514 .0294 .0045 .0115 .0014 |
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H5 .6100 .3313 .4287 .0487 .0486 .0431 .0004 .0081 .0105 |
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H6 .7498 .3899 .4222 .0389 .0553 .0496 -.0069 .0014 -.0063 |
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H7 .8499 .4821 .1879 .0537 .0449 .0502 .0051 .0129 -.0094 |
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H8 .7912 .4618 .9874 .0548 .0457 .0390 .0012 .0021 .0075 |
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H9 .7491 .0367 .1885 .0530 .0576 .0596 -.0043 .0192 .0123 |
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H10 .4964 .0336 .2039 .0411 .0512 .0661 .0093 .0068 .0074 |
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Borax |
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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 sodium |
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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 0009647 |
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11.885 10.654 12.206 90 106.623 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 0 0 0 .0251 .0298 .0254 .0001 .0053 .0020 |
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Na2 0 .8469 .25 .0288 .0316 .0289 0 .0132 0 |
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B1 .0853 .3452 .2151 .0141 .0165 .0142 .0021 .0047 -.0006 |
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B2 .0978 .4566 .3918 .0135 .0193 .0145 -.0026 .0044 -.0038 |
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O1 0 .2672 .25 .0189 .0146 .0152 0 .0037 0 |
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O2 .1544 .4194 .3146 .0157 .0251 .0184 -.0036 .0067 -.0055 |
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O3 .0194 .4346 .1243 .0159 .0256 .0200 .0040 .0075 .0083 |
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O4 .1614 .2712 .1679 .0206 .0328 .0227 .0082 .0060 -.0078 |
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O5 .1622 .5163 .4895 .0202 .0421 .0227 -.0104 .0078 -.0159 |
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O6 .1240 .8463 .4493 .0223 .0339 .0291 -.0009 .0048 .0028 |
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O7 .1233 .0009 .1956 .0243 .0263 .0332 -.0018 .0073 -.0008 |
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O8 .1197 .1647 .4615 .0293 .0360 .0291 .0005 .0055 .0096 |
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O9 .1171 .7049 .1718 .0324 .0321 .0354 .0001 .0050 -.0068 |
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H4 .7616 .2597 .2807 .0219 .0451 .0416 -.0058 .0047 .0060 |
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H5 .1127 .4589 .0379 .0354 .0468 .0291 .0057 .0127 .0128 |
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H6A .3003 .3857 .0367 .0332 .0497 .0511 .0050 .0106 -.0044 |
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H6B .8662 .2109 .4875 .0426 .0419 .0522 .0016 .0144 .0117 |
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H7A .2984 .4755 .3064 .0322 .0427 .0445 -.0018 .0093 -.0022 |
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H7B .1276 .0909 .2021 .0494 .0338 .0515 .0009 .0060 -.0066 |
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H8A .9160 .1958 .1158 .0488 .0436 .0332 -.0002 .0109 -.0061 |
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H8B .8064 .1290 .0364 .0335 .0829 .0072 -.0101 .0121 -.0210 |
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H9A .4004 .1177 .3362 .0611 .0370 .0760 .0035 .0185 .0143 |
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H9B .6152 .2359 .0967 .0587 .0603 .0389 .0065 .0122 -.0049 |
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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
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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
|
| |
|
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 |
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_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
|
| |
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