American Mineralogist Crystal Structure Database

5 matching records for this search.

Mohrite
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Figgis B N, Kucharski E S, Reynolds P A, Tasset F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=45&spage=942
Acta Crystallographica C45 (1989) 942-944
The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction
Locality: synthetic
_database_code_amcsd 0010076
9.167 12.405 6.305 90 106.71 90 P2_1/a
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N     .1362  .3403  .3518 .0053  .0061  .0042  .0056 -.0002  .0019 -.0007
H11   .0704  .3299  .1922 .0188  .0225  .0236  .0104 -.0041  .0010 -.0028
H12   .2295  .2916  .3883 .0189  .0154  .0142  .0270  .0081  .0070  .0037
H13   .0698  .3221  .4534 .0176  .0177  .0195  .0156 -.0005  .0090  .0008
H14   .1700  .4199  .3729 .0175  .0209  .0106  .0210 -.0009  .0032 -.0019
Fe        0      0      0 .0024  .0028  .0022  .0023  .0005  .0001 -.0005
S     .4126  .1300  .7349 .0017  .0019  .0007  .0024  .0009  .0007  .0011
O3    .4209  .2217  .5868 .0048  .0067  .0029  .0049  .0006  .0016  .0006
O4    .5526  .0662  .7807 .0054  .0040  .0047  .0076  .0012  .0007 -.0010
O5    .2802  .0622  .6190 .0043  .0042  .0039  .0049 -.0003  .0002 -.0008
O6    .3898  .1726  .9430 .0049  .0071  .0041  .0035  .0002  .0015 -.0020
O5    .1799  .1075  .1704 .0058  .0059  .0071  .0045 -.0006  .0014 -.0007
O6   -.1643  .1171  .0298 .0054  .0057  .0035  .0071  .0003  .0010  .0005
O7   -.0006 -.0707  .3023 .0058  .0071  .0049  .0055  .0012  .0028  .0017
H15   .2268  .0878  .3245 .0153  .0167  .0190  .0101  .0000  .0001  .0016
H16   .2606  .1174  .1005 .0178  .0153  .0225  .0155 -.0026  .0068 -.0009
H17  -.2684  .1001 -.0589 .0147  .0097  .0161  .0182  .0008  .0010 -.0013
H18  -.1449  .1912 -.0063 .0152  .0167  .0100  .0190 -.0018  .0045  .0025
H19  -.0956 -.0610  .3411 .0179  .0161  .0185  .0190  .0043  .0096  .0026
H20   .0250 -.1473  .3285 .0154  .0188  .0107  .0168  .0024  .0057  .0030
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Rinneite
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Figgis B N, Sobolev A N, Kucharski E S, Broughton V
 
Acta Crystallographica C56 (2000) e228-e229
Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K
Locality: synthetic
Sample: T = 293 K
_database_code_amcsd 0010319
12.033 12.033 13.863 90 90 120 R-3c
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K    .29056    1/3   1/12  .0256  .0244  .0277 .01222 -.00264 -.00529
Na        0      0    .25  .0334  .0334  .0176  .0167       0       0
Fe        0      0      0 .01657 .01657  .0146 .00828       0       0
Cl   .17995 .02704 .10753  .0203  .0277  .0208 .01338 -.00256 -.00041
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Rinneite
Download hom/rinneite.pdf
Figgis B N, Sobolev A N, Kucharski E S, Broughton V
 
Acta Crystallographica C56 (2000) e228-e229
Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K
Locality: synthetic
Sample: T = 84
_database_code_amcsd 0010320
11.9220 11.9220 13.761 90 90 120 R-3c
atom       x       y       z U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K      .2897     1/3    1/12 .00862 .00826 .00890 .00413 -.00083 -.00165
Na         0       0     .25 .01173 .01173 .00614 .00587       0       0
Fe         0       0       0 .00549 .00549 .00464 .00275       0       0
Cl   .180781 .027362 .107931 .00706 .00934 .00697 .00453 -.00078 -.00015
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Rinneite
Download hom/rinneite.pdf
Figgis B N, Sobolev A N, Kucharski E S, Broughton V
 
Acta Crystallographica C56 (2000) e228-e229
Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K
Locality: synthetic
Sample: T = 9.5 K
_database_code_amcsd 0010321
11.8930 11.8930 13.735 90 90 120 R-3c
atom       x       y       z U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K    .289535     1/3    1/12 .00528 .00514 .00572 .00257 -.00023 -.00047
Na         0       0     .25 .00724 .00724 .00520 .00362       0       0
Fe         0       0       0 .00347 .00347 .00360 .00174       0       0
Cl   .180955 .027399 .107988 .00461 .00553 .00517 .00271 -.00032 -.00004
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Kremersite
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Figgis B N, Raston C L, Sharma R P, White A H
 
Australian Journal of Chemistry 31 (1978) 2717-2720
Crystal structure of diammonium aquapentachloroferrate(III)
Locality: synthetic
_database_code_amcsd 0012057
13.706 9.924 7.024 90 90 90 Pnma
atom      x      y      z
N     .1413  .0003  .6598
H2    .1957  .0026  .6203
H3    .1554 -.0011  .8025
H4    .1105  .0801  .6256
H5    .1062 -.0601  .6802
Fe   .11630    .25 .18960
Cl1  .10474 .01062  .1761
Cl2  .00596    .25  .4531
Cl3  .24782    .25  .3982
Cl4  .22316    .25 -.0720
O    -.0034    .25  .0006
H1   -.0256  .1704 -.0471
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Total number of retrieved datasets: 5
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