American Mineralogist Crystal Structure Database

3 matching records for this search.

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
Note: T = 250 K
Locality: synthetic
_database_code_amcsd 0009132
6.7508 6.8146 17.2924 88.118 89.481 62.6891 P-1
atom      x      y      z  Uiso
Mg1       0      0      0 .0191
Mg2       0      0     .5 .0140
S     .3944  .3271  .2013 .0254
O1    .3119  .3373  .1232 .0225
O2    .2248  .4343  .2540 .0406
O3    .5267  .0885  .2265 .0327
O4    .5531  .4173  .1997 .0389
Ow1   .6681  .1633  .0080 .0407
Ow2   .9897 -.2717  .0546 .0352
Ow3   .0453  .1090  .1047 .0394
Ow4   .1479 -.1094  .3944 .0289
Ow5   .8010 -.1556  .4839 .0410
Ow6   .7613  .2787  .4451 .0340
Ow7   .3157  .3975  .4115 .0280
Ow8   .6032 -.2431  .1184 .0291
Ow9   .5626 -.1426  .3602 .0258
Ow10  .8303  .4336  .3064 .0343
Ow11  .9950 -.0985  .2456 .0367
D1a   .5664  .2299  .0497 .0482
D1b   .5671  .1933 -.0345 .0474
D2a   .1147 -.3993  .0747 .0463
D2b   .8513 -.2698  .0755 .0405
D3a   .0404  .0416  .1531 .0384
D3b   .1244  .1925  .1104 .0448
D4a   .2969 -.1230  .3862 .0314
D4b   .0846 -.0852  .3442 .0335
D5a   .7752 -.2419  .5238 .0440
D5b   .7160 -.1452  .4391 .0391
D6a   .7940  .3273  .3972 .0403
D6b   .6068  .3050  .4377 .0325
D7a   .2800  .4080  .3586 .0386
D7b   .2301  .5507  .4273 .0503
D8a   .5566 -.1311  .1553 .0380
D8b   .5860 -.3614  .1432 .0417
D9a   .5410 -.0450  .3150 .0340
D9b   .6565 -.2896  .3406 .0343
D10a  .7452  .4181  .2661 .0408
D10b  .9704  .4146  .2839 .0407
D11a  .0595 -.2524  .2406 .0394
D11b  .8385 -.0404  .2389 .0413
Download AMC data (View Text File)
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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
Note: T = 4.2 K
Locality: synthetic
_database_code_amcsd 0009133
6.7275 6.7814 17.3180 88.206 89.447 62.608 P-1
atom      x      y      z  Uiso
Mg1       0      0      0 .0045
Mg2       0      0     .5 .0045
S     .3905  .3308  .2024 .0059
O1    .3141  .3326  .1230 .0059
O2    .2160  .4431  .2544 .0059
O3    .5269  .0782  .2270 .0059
O4    .5578  .4232  .1999 .0059
Ow1   .6578  .1683  .0069 .0079
Ow2   .9991 -.2745  .0551 .0079
Ow3   .0498  .1048  .1037 .0079
Ow4   .1492 -.1114  .3952 .0079
Ow5   .7965 -.1511  .4861 .0079
Ow6   .7535  .2870  .4475 .0079
Ow7   .3078  .3976  .4107 .0079
Ow8   .5999 -.2411  .1198 .0079
Ow9   .5557 -.1407  .3614 .0079
Ow10  .8315  .4385  .3076 .0079
Ow11  .9963 -.0892  .2464 .0079
D1a   .5643  .2334  .0498 .0164
D1b   .5669  .1876 -.0342 .0164
D2a   .1135 -.4066  .0734 .0164
D2b   .8553 -.2711  .0760 .0164
D3a   .0436  .0437  .1544 .0164
D3b   .1312  .1908  .1101 .0164
D4a   .2989 -.1225  .3847 .0164
D4b   .0787 -.0886  .3451 .0164
D5a   .7739 -.2403  .5240 .0164
D5b   .7099 -.1427  .4420 .0164
D6a   .7937  .3339  .3990 .0164
D6b   .6096  .3105  .4385 .0164
D7a   .2846  .4087  .3556 .0164
D7b   .2388  .5588  .4273 .0164
D8a   .5644 -.1312  .1565 .0164
D8b   .5962 -.3711  .1445 .0164
D9a   .5336 -.0418  .3164 .0164
D9b   .6584 -.2934  .3416 .0164
D10a  .7428  .4129  .2679 .0164
D10b  .9689  .4168  .2869 .0164
D11a  .0629 -.2502  .2393 .0164
D11b  .8380 -.0359  .2387 .0164
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
 
Genceli F E, Lutz M, Spek A L, Witkamp G J
 
Crystal Growth & Design 7 (2007) 2460-2466
Crystallization and characterization of a new magnesium sulfate hydrate MgSO4*11H2O
Note: T = 110 K
Locality: synthetic
_database_code_amcsd 0021041
6.72548 6.77937 17.2898 88.255 89.478 62.598 P-1
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1       .5      .5      .5 .00915 .00929 .01054 .00801 -.00491 -.00021  .00005
Mg2       .5      .5       0 .00959 .00922 .01098 .00877 -.00488 -.00040  .00083
S    .905021 .819975 .200828 .00808
O1    .69292  .65636  .51415 .01877  .0257  .0283 .01306 -.02185 -.00555  .00521
O2    .25677  .78302  .44616 .01570 .01184 .01722 .01533 -.00471 -.00141  .00582
O3    .34760  .61051  .60556 .01411 .01251 .02093 .00885 -.00762  .00072 -.00137
O4    .54718  .61040  .10526 .01496
O5    .84191  .32672 -.00835 .01639
O6    .50975  .76791 -.05533 .01601
O7    .05536  .92210  .20022 .01731
O8    .03068  .58380  .22688 .01449
O9    .71799  .93724  .25500 .01479
O10   .81602  .83061  .12239 .01223
O11   .10574  .25212  .11957 .01474
O12   .81108  .90311  .41287 .01430
O13   .93790  .64731  .63973 .01423
O14   .50358  .59099  .75372 .01453
O15   .33110  .93827  .30774 .01528
H1     .7197   .7294   .4813   .035
H2      .771    .645   .5503   .042
H3      .126   .8063   .4387   .035
H4     .2899   .8260   .4056   .033
H5     .4092   .5905   .6477   .033
H6      .218    .620   .6154   .044
H7      .610    .680   .1105   .036
H8     .5460   .5539   .1469   .033
H9     .9210   .3183   .0308   .033
H10     .928   .2735  -.0448   .034
H11     .628   .7709  -.0748   .035
H12     .407    .881  -.0677   .034
H13     .061    .360   .1513   .041
H14     .093    .145   .1429   .040
H15     .756    .032   .4237   .045
H16    .7905   .9089   .3650   .033
H17     .856    .775   .6563   .036
H18     .960    .557   .6762   .040
H19     .640    .542   .7612   .038
H20    .4507    .722   .7600   .033
H21    .4496   .9183   .2869   .029
H22     .262    .913   .2755   .038
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: 3
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