American Mineralogist Crystal Structure Database

2 matching records for this search.

Delindeite
Download hom/delindeite.pdf
Ferraris G, Ivaldi G, Pushcharovsky D Y, Zubkova N V, Pekov I V
Download cm/vol39/CM39_1307.pdf
The Canadian Mineralogist 39 (2001) 1307-1316
The crystal structure of delindeite, Ba2{(Na,K,_)3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2},
a member of the mero-plesiotype bafertisite series
_database_code_amcsd 0005741
5.327 6.856 21.51 90 93.80 90 A2/m
atom        x      y      z occ Uiso
Ba      .2539      0 .27141 .96 .017
Ba'      .254      0   .221 .02 .015
Ba"      .261      0   .320 .02 .015
Ti(1)       0      0      0     .015
Ti(2)   .2731    1/2  .3453     .057
Si      .7891 -.2298  .3788     .020
Na(1)   -.055      0   .503 .24 .029
Na(2)     1/2  -.246    1/2 .56 .030
O(1)     .827  -.299  .4510     .029
O(2)     .097      0  .6252 .54 .022
O(2')    .326      0   .616 .46 .032
O(3)     .527  -.297  .3461     .061
O(4)     .012  -.302  .3399     .072
O(5)    -.272      0  .0596     .028
O(6)     .260   .059  .7577 .50 .022
Wat(7)   .287      0   .440 .58 .048
Wat(7')  .252      0   .476 .38 .032
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Delindeite
Download hom/delindeite.pdf
Sokolova E, Camara F
Download cm/vol45/CM45_1247.pdf
The Canadian Mineralogist 45 (2007) 1247-1261
From structure topology to chemical composition. II. Titanium silicates:
revision of the crystal structure and chemical formula of delindeite
Locality: Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0006156
10.6968 13.7535 21.5758 90 93.975 90 C2/c
atom       x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Ba11  .37632 .12358 .02637  .80 .01197 .00937  .0115 .01483  -.0010 -.00034 .00405
K11   .37632 .12358 .02637  .08 .01197 .00937  .0115 .01483  -.0010 -.00034 .00405
Ba12   .3791  .1486  .0268  .05 .01197  .0094 .01154  .0148 -.00103 -.00034 .00405
Ba13   .3687  .1080  .0173  .07 .01197  .0094 .01154  .0148  -.0010 -.00034 .00405
Ba2   .87711 .12669 .01767      .01197  .0094 .01154  .0148 -.00103 -.00034 .00405
Na1        0  .0035    .25  .62  .0141  .0061   .020   .017       0   .0036      0
Mn1        0  .0035    .25  .02  .0141  .0061   .020   .017       0   .0036      0
Fe1        0  .0035    .25  .06  .0141  .0061   .020   .017       0   .0036      0
Na2        0  .2466    .25  .64  .0141  .0061   .020   .017       0   .0036      0
Mn2        0  .2466    .25  .02  .0141  .0061   .020   .017       0   .0036      0
Fe2        0  .2466    .25  .04  .0141  .0061   .020   .017       0   .0036      0
Na3    .2733  .1240  .2459   .7  .0244   .043   .013   .016    .010   -.010 -.0043
K      .3797  .1275  .2255  .18   .033   .035   .027   .035   -.005   -.009   .002
TiM1  .38757 .85893 .09448  .94  .0240  .0020  .0042  .0654   .0002  -.0012  .0012
NbM1  .38757 .85893 .09448 .035  .0240  .0020  .0042  .0654   .0002  -.0012  .0012
AlM1  .38757 .85893 .09448 .025  .0240  .0020  .0042  .0654   .0002  -.0012  .0012
TiM2  .88604 .89329 .09518  .94  .0238  .0024  .0046  .0639   .0002  -.0000  .0002
NbM2  .88604 .89329 .09518 .035  .0238  .0024  .0046  .0639   .0002  -.0000  .0002
AlM2  .88604 .89329 .09518 .025  .0238  .0024  .0046  .0639   .0002  -.0000  .0002
TiM3  .25190 .87424 .25012  .82  .0132  .0200  .0081  .0106   .0013  -.0056  .0008
FeM3  .25190 .87424 .25012  .12  .0132  .0200  .0081  .0106   .0013  -.0056  .0008
NbM3  .25190 .87424 .25012  .06  .0132  .0200  .0081  .0106   .0013  -.0056  .0008
Si1    .6349 .00912 .12935       .0111  .0135  .0107  .0085  -.0066  -.0031  .0056
Si2   .13225 .73988 .12996       .0091  .0064  .0053  .0153  -.0051  -.0016  .0053
Si3    .6546 .73819 .12726       .0106  .0142  .0026  .0147   .0039  -.0021  .0027
Si4   .15760 .00927 .12797       .0078  .0043  .0113  .0076   .0042  -.0007  .0038
O1     .5170  .9602  .0896       .0151   .016   .014   .015    .002   -.001  -.005
O2     .7599  .9979  .0931       .0192   .006   .027   .024    .001   -.000   .020
O3     .6512  .9714  .2002       .0163   .023   .020   .005   -.001   -.006   .003
O4     .5944  .1267  .1341       .0179   .020   .008   .025   -.003   -.003  -.001
O5     .2578  .7563  .0948       .0190   .012   .018   .028   -.007    .008   .006
O6     .0136  .7907  .0929       .0198   .005   .033   .022    .009   -.003  -.009
O7     .1540  .7789  .2009       .0218   .031   .012   .022   -.010    .001  -.002
O8     .7505  .7946  .0844       .0199   .016   .022   .023   -.002    .003  -.001
O9     .6737  .7705  .1998       .0153   .021   .010   .015   -.005    .004  -.002
O10    .5130  .7549  .1008       .0138   .003   .009   .029   .0016   -.001   .002
O11    .2997  .6251  .3746       .0139   .013   .010   .019   -.003   -.000   .001
O12    .0152  .9986  .1012       .0252   .016   .039   .019   -.006   -.009   .013
O13    .1751  .9801  .2007       .0158   .018   .025   .004    .004   -.003   .002
O14    .2560  .9573  .0850       .0132   .012   .019   .009    .008   -.002   .003
O15    .3838  .8486  .0079 .765  .0202   .007   .047   .007    .002  -.0014  -.001
OH15   .3838  .8486  .0079 .235  .0202   .007   .047   .007    .002  -.0014  -.001
O16    .8794  .9031  .0082 .765  .0130   .009   .016   .013   -.001   -.002   .006
OH16   .8794  .9031  .0082 .235  .0130   .009   .016   .013   -.001   -.002   .006
OH17   .3870  .8666  .1906  .66  .0158   .017   .014   .017   -.000    .003  -.000
F17    .3870  .8666  .1906  .33  .0158   .017   .014   .017   -.000    .003  -.000
OH18   .1173  .8837  .3094  .66  .0190   .016   .028   .014    .002    .002  -.001
F18    .1173  .8837  .3094  .33  .0190   .016   .028   .014    .002    .002  -.001
Wat19  .1023  .1258  .3056        .045   .042   .054   .049    .003    .010  -.003
Wat21      0   .777    .25  .46   .048   .042   .054   .049    .003    .010  -.003
Wat22     .5   .126    .25   .5   .048   .042   .054   .049    .003    .010  -.003
Wat20     .5   .985    .25  .44   .045   .042   .054   .049    .003    .010  -.003
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: 2
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