American Mineralogist Crystal Structure Database

2 matching records for this search.

Tamaite
 
Hughes J M, Rakovan J F, Bracco R, Gunter M E
Download am/vol88/AM88_1324.pdf
American Mineralogist 88 (2003) 1324-1330
The atomic arrangemetn of the ganophyllite-group modulated layer silicates as
determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A
ganophyllite-group superstructure revealed
Note: signs of the y-coordinates for O24 and O25 have been changed
_database_code_amcsd 0003154
16.8146 25.2036 13.3866 90 90 90 Pnma
atom       x       y      z  Uiso  U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mn1  -.58201 -.01781 .30893 .0135  .00919 .02295 .00828 -.00092  .00035 -.00313
Mn2  -.58477 -.99737 .55744 .0133  .00676 .02366 .00939 -.00175 -.00018 -.00609
Mn3  -.74898 -.01450 .42999 .0151  .00748 .02824 .00958 -.00150  .00044 -.00449
Mn4  -.74917 -.00989 .17972 .0195  .01042 .04001 .00820  .00063  .00049  .00135
Mn5  -.91573 -.01802 .30845 .0169  .01327 .02575 .01160 -.00173 -.00020  .00136
Mn6  -.58239 -.00233 .05744 .0092  .00528 .01654 .00578 -.00071  .00154 -.00020
Si1  -.87449 -.11773  .4679 .0090  .00525 .01578 .00606  .00182 -.00107 -.00055
Si2  -.85372 -.11855  .1378 .0110  .00412 .02035 .00842  .00067 -.00080  .00323
Si3  -.53570 -.12257  .1419 .0094  .00530 .01453 .00845 -.00247  .00130 -.00172
Si4   -.4746 -.90508  .3040 .0365  .08592 .01840 .00510 -.01249 -.00409 -.00261
Si5   -.6939 -.10480  .0262 .0117  .00679 .02271 .00556  .00065  .00103  .00153
Si6  -.48436 -.88666  .5307 .0095  .00513 .01577 .00756 -.00162  .00082 -.00438
Si7   -.1349 -.90364  .3056 .0406  .09004 .02561 .00626  .02111  .00293  .00101
Si8   -.3071 -.90682  .2005 .0397  .06938 .03503 .01467 -.01357 -.00060  .00124
Si9  -.70962 -.81341  .8138 .0106  .00629 .01699 .00854  .00082  .00092 -.00078
Si10 -.39833 -.81326  .6817 .0104  .00794 .01535 .00779 -.00052 -.00035 -.00131
O1H   -.6393  -.9679  .4241 .0152  .01184 .02021 .01344 -.00004 -.00164 -.00418
H1     -.639   -.938   .421   .02
O2H   -.6942  -.0422  .5670 .0145  .01063 .02429 .00849 -.00163  .00053 -.00134
H2     -.700   -.079   .582   .07
O3H   -.6961  -.0544  .3020 .0147  .01146 .02255 .01010 -.00031 -.00186 -.00380
H3     -.698   -.089    .31   .10
O4    -.6344  -.9663  .1848  .021  .02321 .03078 .00877  .00556  .00090  .00329
O5    -.8074  -.9697  .3045  .020  .02208 .02909 .00890 -.00276  .00365 -.00407
O6    -.8617  -.0563  .4393 .0163 -.01311 .01941 .01637 -.00169 -.00388  .00095
O7    -.8594  -.0569  .1703 .0143  .00984 .02186 .01113 -.00059 -.00163  .00101
O8H   -.4709  -.9664  .0710 .0169  .01821 .01598 .01658 -.00150 -.00157  .00003
H8     -.472   -.931   .086   .02
O9    -.5281  -.0623  .1814  .019  .01618 .02209 .01872 -.00383  .00863 -.00724
O10   -.4761  -.8772  .4114 .0188  .02189 .02350 .01090 -.00338  .00305 -.00260
O11   -.8697  -.1261  .5881 .0185  .01970 .02625 .00962  .00291 -.00334 -.00043
O12   -.4748  -.9487  .5548 .0117  .00870 .01535 .01109 -.00201 -.00143 -.00671
O13   -.9622  -.1371  .4319 .0131  .00813 .01807 .01303 -.00070 -.00434 -.00081
O14   -.0383  -.1663  .2714 .0171  .00765 .02917 .01443 -.00013 -.00299 -.00465
O15   -.1928  -.0415  .4580 .0159  .01142 .02571 .01049 -.00003 -.00061 -.00420
O16   -.8059  -.8791  .4093  .024  .03235 .03115 .00876 -.00227  .00018 -.00058
O17   -.8047  -.8231  .7838 .0170  .01256 .02647 .01183 -.00295 -.00099 -.00272
O18   -.0271  -.0316 -.1904 .0181  .02126 .02281 .01012 -.00317 -.00036  .00100
O19   -.0836  -.1496  .0803  .019  .01024 .02477 .02207 -.00578  .00107  .01021
O20   -.5720  -.8664  .5649 .0152  .01100 .02103 .01350  .00112  .00526  .00059
O21   -.7269  -.8702  .5741  .018  .00571 .02851 .02017 -.00132 -.00544 -.00086
O22   -.6470  -.8416  .7317 .0176  .01242 .02760 .01267  .00252  .00126 -.01324
O23   -.6156  -.1305  .0751  .018  .00658 .02719 .01966 -.00023 -.00568 -.00336
O24   -.6827    -3/4  .8214  .019  .01390 .02060 .02308  .00000  .00002  .00000
O25   -.0793    -1/4  .1583  .019  .01442 .02221 .01969  .00000 -.00048  .00000
O26   -.3916  -.8848  .2515  .125  .24417 .02640 .10593 -.03166  .15269 -.01455
O27   -.2215  -.8860  .2539  .112  .19782 .04023 .09811  .02172 -.12016 -.00622
O28    -.055  -.8849   .249  .165  .31476 .00988 .17173  .00314  .22521  .00312
O29   -.6929  -.8436 -.0759  .020  .01580 .03148 .01224  .00944 -.00017  .00542
Ca    -.5572     .25   .734  .149  .05071 .06410 .33367  .00000  .11402  .00000
K      -.443     .25   .424   .11  .11589 .06701 .14359  .00000 -.02436  .00000
Wat1   -.693    -1/4   .084   .15  .25037 .07566 .11216  .00000 -.00654  .00000
Wat2  -.3175     .25  .3200  .046  .06555 .07089 .00162  .00000 -.01035  .00000
Wat3  -.3061   -.685   .430   .13  .04868 .22396 .11204 -.00098  .00012 -.06639
Wat4   -.612     .25   .571   .13  .22030 .03561 .13644  .00000  .09126  .00000
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Weissite
Download hom/weissite.pdf
Bindi L, Carbone C, Belmonte D, Cabella R, Bracco R
 
Mineralogical Magazine 77 (2013) 475-483
Weissite from Gambatesa mine, Val Graveglia, Liguria, Italy:
occurrence, composition and determination of the crystal structure
Locality: Gambatesa mine, Val Graveglia, Liguria, Italy
_database_code_amcsd 0020112
8.3124 8.3124 21.546 90 90 120 P3m1
atom      x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Cu1   .4990  -.4990  .0010 .17 .0370   .031   .031   .046   .013   .002   -.002
Cu2     2/3     1/3 .04543     .0340  .0339  .0339  .0342  .0170      0       0
Cu3   .8353  -.8353 .06099     .0406  .0405  .0405  .0415  .0208  .0002  -.0002
Cu4     1/3     2/3 .06224     .0331  .0323  .0323  .0347  .0162      0       0
Cu5       0       0 .22505     .0329  .0337  .0337  .0313  .0168      0       0
Cu6   .4961  -.4961 .22469     .0502  .0509  .0509  .0494  .0257 -.0006   .0006
Cu7   .1620  -.1620  .2540 .50 .0511  .0510  .0510   .049   .024 -.0006   .0006
Cu8   .8250  -.8250 .27024     .0498  .0516  .0516  .0461  .0256  .0001  -.0001
Cu9     1/3     2/3 .27094     .0323  .0342  .0342  .0285  .0171      0       0
Cu10      0       0 .32724     .0330  .0328  .0328  .0335  .0164      0       0
Cu11    2/3     1/3 .36849     .0322  .0324  .0324  .0317  .0162      0       0
Cu12  .8310  -.8310  .4991 .50 .0391  .0380  .0380  .0419  .0195  .0002  -.0002
Cu13 .16002 -.16002 .61992     .0399  .0402  .0402  .0380  .0192 -.0003   .0003
Cu14      0       0 .67195     .0331  .0318  .0318  .0359  .0159      0       0
Cu15  .4954  -.4954 .67486     .0506  .0482  .0482  .0546  .0234 -.0003   .0003
Cu16    2/3     1/3 .69743     .0324  .0314  .0314  .0344  .0157      0       0
Cu17  .8350  -.8350 .73079     .0506  .0522  .0522  .0479  .0266 -.0002   .0002
Cu18    1/3     2/3 .73189     .0327  .0332  .0332  .0316  .0166      0       0
Cu19      0       0  .7779     .0329  .0328  .0328  .0331  .0164      0       0
Cu20  .5049  -.5049 .77890     .0508  .0508  .0508   .050  .0252 -.0003   .0003
Cu21  .1631  -.1631 .93206     .0501  .0501  .0501  .0498  .0248 -.0002   .0002
Cu22 .82801 -.82801 .93880     .0303  .0295  .0295  .0315  .0145 -.0003   .0003
Cu23    1/3     2/3 .93969     .0334  .0325  .0325  .0353  .0162      0       0
Cu24      0       0 .99832     .0339  .0344  .0344  .0331  .0172      0       0
Te1       0       0 .11395     .0331  .0331  .0331  .0331  .0165      0       0
Te2  .50500 -.50500 .11514     .0403  .0404  .0404  .0400  .0203  .0003  -.0003
Te3  .83502 -.83502 .39005     .0405  .0413  .0413  .0393  .0209 .00016 -.00016
Te4     1/3     2/3 .39199     .0329  .0339  .0339  .0308  .0170      0       0
Te5       0       0 .44201     .0330  .0336  .0336  .0319  .0168      0       0
Te6  .50499 -.50499 .44207     .0408  .0411  .0411  .0399  .0204 .00035 -.00035
Te7  .49705 -.49705 .55693     .0507  .0518  .0518  .0479  .0256 -.0004   .0004
Te8       0       0 .55787     .0331  .0337  .0337  .0319  .0169      0       0
Te9     1/3     2/3 .60892     .0336  .0344  .0344  .0319  .0172      0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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