American Mineralogist Crystal Structure Database

2 matching records for this search.

Tundrite-(Ce)
Download hom/tundritece.pdf
Grice J D, Rowe R, Poirier G, Wight Q
Download cm/vol46/CM46_413.pdf
The Canadian Mineralogist 46 (2008) 413-422
Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure
analysis and species characterization
Locality: Mount Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0006184
7.5760 13.9252 5.0290 99.981 70.791 100.947 P-1
atom      x      y     z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ce1   .6573  .7797 .5952      .00968  .0104  .0119  .0077 .00036 -.00438 .00224
Ce2   .2195 .77840 .3119 .030 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
La2   .2195 .77840 .3119 .621 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Nd2   .2195 .77840 .3119 .229 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Pr2   .2195 .77840 .3119 .081 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Sm2   .2195 .77840 .3119 .014 .01052  .0112  .0142  .0062 .00402 -.00127 .00148
Na1       0      0   1/2       .0212   .039   .012   .014   .001    .011 -.0022
Na2   .1375  .4719 .1759 .906  .0299   .030   .032   .027  .0068  -.0083 -.0001
Ca2   .1375  .4719 .1759 .039  .0299   .030   .032   .027  .0068  -.0083 -.0001
Na3     1/2    1/2   1/2       .0286   .049   .019   .014  -.010   -.012   .003
Ti   .60840 .99963 .1957 .875  .0120  .0130  .0133  .0097  .0020  -.0037  .0008
Nb   .60840 .99963 .1957 .109  .0120  .0130  .0133  .0097  .0020  -.0037  .0008
Si    .9622 .85797 .9129       .0085  .0096  .0114  .0051  .0018  -.0029  .0008
C1    .7921  .3546 .2374       .0136   .015   .014   .013   .005   -.004   .001
C2    .6011   .652 .0601       .0125   .010   .016   .010   .001   -.001   .003
O1    .9339  .7555 .7084       .0097   .009   .011   .009  .0013  -.0034  .0012
O2    .7939  .9173 .9117       .0109   .012   .014   .007   .004   -.003 -.0007
O3    .1629  .9161 .7260       .0107   .009   .013   .009 -.0002  -.0030  .0021
O4    .9575  .8437 .2269       .0115   .013   .015   .007   .003  -.0026  .0030
O5    .4070  .9179 .0663       .0110   .012   .012   .008   .000  -.0040  .0022
O6    .5507  .9191 .4970       .0115   .015   .011   .007   .005   -.001  .0025
O7    .8718  .3811 .9889       .0212   .027   .019   .017  -.002   -.007   .009
O8    .8080  .4068 .4629       .0265   .025   .028   .021  -.001   -.009  -.010
O9    .3328  .3774 .7677       .0178   .028   .016   .013   .003   -.009   .004
O10   .4023  .3939 .1762       .0195   .026   .020   .014   .003   -.011  -.003
O11   .3072  .7334 .7463       .0143   .014   .017   .012  -.001   -.006   .003
O12   .5462  .7392 .1337       .0130   .014   .014   .011   .004   -.003   .000
OH13   .779   .781  .033  .11    .03
H5      .27    .90   .19  .07    .03
H6      .53    .86   .65  .07    .03
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tundrite-(Ce)
Download hom/tundritece.pdf
Shumyatskaya N G, Voronkov A A, Ilyukhin V V, Belov N V
 
Soviet Physics Crystallography 21 (1976) 399-405
Tundrite, Na2Ce2TiO2[SiO4](CO3)2 -
refinement of the crystal structure and chemical formula
Locality: Khibiny Massif, Kola Peninsula, Russia
Note: y(O11) adjusted to match reported bond lengths
_database_code_amcsd 0015572
7.560 13.957 5.040 101.12 70.87 100.02 P-1
atom     x     y     z Biso
Na1      0     0    .5 1.82
Na2  .1405 .4747 .1748 2.08
Na3     .5    .5    .5 3.26
Ce1  .6565 .7787 .5923  .83
Ce2  .2181 .7776 .3103 1.04
Ti   .6100 .9997 .1947  .10
Si   .9610 .8578 .9115  .37
C1   .7914 .3534 .2433 1.22
C2   .5993 .6535 .0623  .71
O1   .9335 .7563 .7068  .66
O2   .7925 .9172 .9089  .81
O3   .1613 .9167 .7245  .70
O4   .9563 .8430 .2243  .88
O5   .4053 .9185 .0677  .81
O6   .5504 .9189 .4993  .74
O7   .8735 .3813 .9915  .01
O8   .8096 .4043 .4623 2.41
O9   .3343 .3761 .7702 1.46
O10  .4046 .3923 .1771 1.37
O11  .3076 .7358 .7489 1.24
O12  .5458 .7415 .1339  .91
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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