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Meridianiite |
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Fortes A D, Wood I G, Knight K S |
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Physics and Chemistry of Minerals 35 (2008) 207-221 |
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The crystal structure and thermal expansion tensor of MgSO4-11D2O (meridianiite) |
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determined by neutron powder diffraction |
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Note: T = 250 K |
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Locality: synthetic |
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_database_code_amcsd 0009132 |
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6.7508 6.8146 17.2924 88.118 89.481 62.6891 P-1 |
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atom x y z Uiso |
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Mg1 0 0 0 .0191 |
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Mg2 0 0 .5 .0140 |
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S .3944 .3271 .2013 .0254 |
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O1 .3119 .3373 .1232 .0225 |
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O2 .2248 .4343 .2540 .0406 |
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O3 .5267 .0885 .2265 .0327 |
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O4 .5531 .4173 .1997 .0389 |
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Ow1 .6681 .1633 .0080 .0407 |
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Ow2 .9897 -.2717 .0546 .0352 |
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Ow3 .0453 .1090 .1047 .0394 |
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Ow4 .1479 -.1094 .3944 .0289 |
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Ow5 .8010 -.1556 .4839 .0410 |
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Ow6 .7613 .2787 .4451 .0340 |
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Ow7 .3157 .3975 .4115 .0280 |
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Ow8 .6032 -.2431 .1184 .0291 |
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Ow9 .5626 -.1426 .3602 .0258 |
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Ow10 .8303 .4336 .3064 .0343 |
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Ow11 .9950 -.0985 .2456 .0367 |
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D1a .5664 .2299 .0497 .0482 |
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D1b .5671 .1933 -.0345 .0474 |
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D2a .1147 -.3993 .0747 .0463 |
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D2b .8513 -.2698 .0755 .0405 |
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D3a .0404 .0416 .1531 .0384 |
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D3b .1244 .1925 .1104 .0448 |
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D4a .2969 -.1230 .3862 .0314 |
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D4b .0846 -.0852 .3442 .0335 |
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D5a .7752 -.2419 .5238 .0440 |
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D5b .7160 -.1452 .4391 .0391 |
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D6a .7940 .3273 .3972 .0403 |
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D6b .6068 .3050 .4377 .0325 |
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D7a .2800 .4080 .3586 .0386 |
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D7b .2301 .5507 .4273 .0503 |
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D8a .5566 -.1311 .1553 .0380 |
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D8b .5860 -.3614 .1432 .0417 |
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D9a .5410 -.0450 .3150 .0340 |
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D9b .6565 -.2896 .3406 .0343 |
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D10a .7452 .4181 .2661 .0408 |
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D10b .9704 .4146 .2839 .0407 |
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D11a .0595 -.2524 .2406 .0394 |
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D11b .8385 -.0404 .2389 .0413 |
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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) |
| |
|
Meridianiite |
| |
Fortes A D, Wood I G, Knight K S |
| |
Physics and Chemistry of Minerals 35 (2008) 207-221 |
|
The crystal structure and thermal expansion tensor of MgSO4-11D2O (meridianiite) |
|
determined by neutron powder diffraction |
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Note: T = 4.2 K |
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Locality: synthetic |
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_database_code_amcsd 0009133 |
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6.7275 6.7814 17.3180 88.206 89.447 62.608 P-1 |
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atom x y z Uiso |
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Mg1 0 0 0 .0045 |
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Mg2 0 0 .5 .0045 |
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S .3905 .3308 .2024 .0059 |
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O1 .3141 .3326 .1230 .0059 |
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O2 .2160 .4431 .2544 .0059 |
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O3 .5269 .0782 .2270 .0059 |
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O4 .5578 .4232 .1999 .0059 |
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Ow1 .6578 .1683 .0069 .0079 |
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Ow2 .9991 -.2745 .0551 .0079 |
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Ow3 .0498 .1048 .1037 .0079 |
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Ow4 .1492 -.1114 .3952 .0079 |
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Ow5 .7965 -.1511 .4861 .0079 |
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Ow6 .7535 .2870 .4475 .0079 |
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Ow7 .3078 .3976 .4107 .0079 |
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Ow8 .5999 -.2411 .1198 .0079 |
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Ow9 .5557 -.1407 .3614 .0079 |
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Ow10 .8315 .4385 .3076 .0079 |
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Ow11 .9963 -.0892 .2464 .0079 |
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D1a .5643 .2334 .0498 .0164 |
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D1b .5669 .1876 -.0342 .0164 |
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D2a .1135 -.4066 .0734 .0164 |
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D2b .8553 -.2711 .0760 .0164 |
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D3a .0436 .0437 .1544 .0164 |
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D3b .1312 .1908 .1101 .0164 |
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D4a .2989 -.1225 .3847 .0164 |
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D4b .0787 -.0886 .3451 .0164 |
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D5a .7739 -.2403 .5240 .0164 |
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D5b .7099 -.1427 .4420 .0164 |
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D6a .7937 .3339 .3990 .0164 |
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D6b .6096 .3105 .4385 .0164 |
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D7a .2846 .4087 .3556 .0164 |
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D7b .2388 .5588 .4273 .0164 |
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D8a .5644 -.1312 .1565 .0164 |
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D8b .5962 -.3711 .1445 .0164 |
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D9a .5336 -.0418 .3164 .0164 |
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D9b .6584 -.2934 .3416 .0164 |
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D10a .7428 .4129 .2679 .0164 |
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D10b .9689 .4168 .2869 .0164 |
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D11a .0629 -.2502 .2393 .0164 |
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D11b .8380 -.0359 .2387 .0164 |
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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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Meridianiite |
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Genceli F E, Lutz M, Spek A L, Witkamp G J |
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Crystal Growth & Design 7 (2007) 2460-2466 |
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Crystallization and characterization of a new magnesium sulfate hydrate MgSO4*11H2O |
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Note: T = 110 K |
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Locality: synthetic |
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_database_code_amcsd 0021041 |
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6.72548 6.77937 17.2898 88.255 89.478 62.598 P-1 |
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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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Mg1 .5 .5 .5 .00915 .00929 .01054 .00801 -.00491 -.00021 .00005 |
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Mg2 .5 .5 0 .00959 .00922 .01098 .00877 -.00488 -.00040 .00083 |
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S .905021 .819975 .200828 .00808 |
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O1 .69292 .65636 .51415 .01877 .0257 .0283 .01306 -.02185 -.00555 .00521 |
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O2 .25677 .78302 .44616 .01570 .01184 .01722 .01533 -.00471 -.00141 .00582 |
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O3 .34760 .61051 .60556 .01411 .01251 .02093 .00885 -.00762 .00072 -.00137 |
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O4 .54718 .61040 .10526 .01496 |
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O5 .84191 .32672 -.00835 .01639 |
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O6 .50975 .76791 -.05533 .01601 |
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O7 .05536 .92210 .20022 .01731 |
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O8 .03068 .58380 .22688 .01449 |
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O9 .71799 .93724 .25500 .01479 |
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O10 .81602 .83061 .12239 .01223 |
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O11 .10574 .25212 .11957 .01474 |
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O12 .81108 .90311 .41287 .01430 |
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O13 .93790 .64731 .63973 .01423 |
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O14 .50358 .59099 .75372 .01453 |
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O15 .33110 .93827 .30774 .01528 |
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H1 .7197 .7294 .4813 .035 |
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H2 .771 .645 .5503 .042 |
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H3 .126 .8063 .4387 .035 |
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H4 .2899 .8260 .4056 .033 |
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H5 .4092 .5905 .6477 .033 |
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H6 .218 .620 .6154 .044 |
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H7 .610 .680 .1105 .036 |
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H8 .5460 .5539 .1469 .033 |
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H9 .9210 .3183 .0308 .033 |
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H10 .928 .2735 -.0448 .034 |
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H11 .628 .7709 -.0748 .035 |
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H12 .407 .881 -.0677 .034 |
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H13 .061 .360 .1513 .041 |
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H14 .093 .145 .1429 .040 |
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H15 .756 .032 .4237 .045 |
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H16 .7905 .9089 .3650 .033 |
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H17 .856 .775 .6563 .036 |
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H18 .960 .557 .6762 .040 |
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H19 .640 .542 .7612 .038 |
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H20 .4507 .722 .7600 .033 |
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H21 .4496 .9183 .2869 .029 |
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H22 .262 .913 .2755 .038 |
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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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