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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 (permalink) |
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Borax |
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Gainsford G J, Kemmitt T, Higham C |
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Acta Crystallographica E64 (2008) i24-i25 |
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Redetermination of the borax structure from laboratory X-ray data at 145 K |
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Note T = 145 K |
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Locality: synthetic |
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_database_code_amcsd 0019359 |
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11.8843 10.6026 12.2111 90 106.790 90 C2/c |
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atom x y z Uiso 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 .01676 .0165 .01812 .0158 .00057 .00485 .00047 |
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Na2 0 .84795 .25 .01796 .0179 .0201 .0176 .000 .00773 .000 |
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B1 .08552 .34499 .21553 .01044 .0100 .0121 .0096 .0012 .0035 -.00028 |
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B2 .09847 .45643 .39269 .01154 .0108 .0133 .0111 -.0014 .0040 -.0014 |
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O1 0 .26659 .25 .01094 .0117 .0104 .0111 .000 .0037 .000 |
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O2 .15546 .41927 .31574 .01276 .0103 .0168 .0122 -.00223 .00493 -.00376 |
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O3 .01964 .43573 .12445 .01339 .0103 .0180 .0130 .00309 .00519 .00559 |
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O4 .16140 .27014 .16772 .01570 .0119 .0209 .0142 .00489 .00365 -.00434 |
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O5 .16369 .51522 .49130 .01815 .0132 .0275 .0150 -.00595 .00593 -.00949 |
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O6 .12357 .84607 .44846 .01851 .0146 .0219 .0186 -.00109 .00414 .00229 |
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O7 .12296 .00117 .19548 .01799 .0151 .0160 .0232 .00012 .0061 .00003 |
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O8 .11919 .16556 .46252 .02067 .0185 .0242 .0184 .00116 .0039 .00608 |
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O9 .11746 .70654 .17227 .02187 .0217 .0196 .0229 -.00047 .0041 -.00352 |
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H4 .7717 .2622 .2876 .032 |
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H5 .1187 .4667 .0305 .040 |
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H6A .3089 .3828 .0413 .042 |
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H6B .8662 .2018 .4941 .051 |
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H7A .3098 .4817 .3051 .030 |
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H7B .1304 .0776 .2014 .039 |
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H8A .9099 .1906 .1075 .036 |
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H8B .8131 .1365 .0352 .034 |
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H9A .4018 .1300 .3385 .046 |
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H9B .6140 .2331 .1058 .053 |
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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) |
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Borax |
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Morimoto N |
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Mineralogical Journal 2 (1956) 1-18 |
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The crystal structure of borax |
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Locality: synthetic |
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_database_code_amcsd 0019358 |
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11.858 10.674 12.197 90 106.68 90 C2/c |
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atom x y z Biso |
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Na1 0 0 0 1.60 |
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Na2 0 .845 .25 1.60 |
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B1 .085 .345 .217 1.60 |
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B2 .095 .454 .39 1.60 |
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O1 0 .265 .25 1.60 |
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O2 .154 .419 .314 1.60 |
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O3 .018 .435 .123 1.60 |
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OH4 .161 .269 .167 1.60 |
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OH5 .163 .511 .491 1.60 |
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Wat6 .123 .846 .45 1.60 |
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Wat7 .125 .002 .196 1.60 |
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Wat8 .119 .165 .459 1.60 |
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Wat9 .116 .707 .171 1.60 |
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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) |
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