American Mineralogist Crystal Structure Database

2 matching records for this search.

Nioboaeschynite-(Ce)
Download hom/nioboaeschynitece.pdf
Morrison S M, Downs R T, Domanik K J, Yang H, Doell D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=64
Acta Crystallographica E68 (2012) i64-i65
Nioboaeschynite-(Ce), Ce(NbTi)O6
Locality: Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada
_database_code_amcsd 0019173
11.0563 7.560 5.3637 90 90 90 Pnma
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
CeA  .45727    .25 .03835  .31 .00893  .0122  .0059  .0087      0   .0005      0
NdA  .45727    .25 .03835  .14 .00893  .0122  .0059  .0087      0   .0005      0
LaA  .45727    .25 .03835  .12 .00893  .0122  .0059  .0087      0   .0005      0
PrA  .45727    .25 .03835  .04 .00893  .0122  .0059  .0087      0   .0005      0
SmA  .45727    .25 .03835  .02 .00893  .0122  .0059  .0087      0   .0005      0
YA   .45727    .25 .03835  .02 .00893  .0122  .0059  .0087      0   .0005      0
GdA  .45727    .25 .03835  .01 .00893  .0122  .0059  .0087      0   .0005      0
ThA  .45727    .25 .03835  .06 .00893  .0122  .0059  .0087      0   .0005      0
FeA  .45727    .25 .03835  .03 .00893  .0122  .0059  .0087      0   .0005      0
SrA  .45727    .25 .03835  .01 .00893  .0122  .0059  .0087      0   .0005      0
CaA'  .4338    .25   .050  .25   .018
NbB  .35726 .50690 .53830  .57 .01227 .01110 .01448 .01123 .00121 -.00065 .00082
TiB  .35726 .50690 .53830  .43 .01227 .01110 .01448 .01123 .00121 -.00065 .00082
O1    .2875  .4417  .8720       .0126  .0133  .0109  .0137  .0014   .0041  .0014
O2    .5259  .4615  .7310       .0105  .0127  .0096  .0091 -.0004   .0016  .0005
O3    .6221    .25  .3389       .0124  .0114  .0062  .0195      0   .0016      0
O4    .3560    .25  .4526       .0123  .0123  .0066  .0179      0   .0016      0
CeC   .1586    .25   .578 .038   .063
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Katayamalite
 
Andrade M B, Doell D, Downs R T, Yang H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=41
Acta Crystallographica E69 (2013) i41-i41
Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2
Locality: Iwagi Island, Inland Sea, Ehime Prefecture, Japan
_database_code_amcsd 0019864
16.9093 9.7287 20.9019 90 112.396 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)
K         0  .07120    .25 .89  .0361  .0352  .0342  .0410       0  .0170      0
Na        0  .07120    .25 .12  .0361  .0352  .0342  .0410       0  .0170      0
Li1      .5   .0835    .25      .0167   .006   .027   .016       0   .004      0
Li2   .2458   .3180  .2486      .0185   .016   .015   .023   .0026   .006  -.002
Ca1  .22009 -.07260 .51311     .01101  .0084  .0101  .0156   .0000  .0057 -.0002
Ca2  .14530  .28347 .50710     .01108  .0081  .0104  .0155  .00035  .0053  .0002
Ca3  .07248  .63859 .50005     .01062  .0079  .0107  .0142 -.00007  .0054  .0002
Ca4       0       0     .5     .01050  .0072  .0101  .0142       0  .0042 -.0008
Ti   .33450  .07041 .25164 .90 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Zr   .33450  .07041 .25164 .07 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Fe   .33450  .07041 .25164 .02 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Sn   .33450  .07041 .25164 .01 .00591 .00370 .00629  .0081  .00022 .00263 .00032
Si1  .61419  .26505 .36044     .00846  .0058  .0092  .0110  -.0005  .0040 -.0009
Si2  .43082  .32346 .35974     .00856  .0056  .0091  .0107   .0001  .0029 -.0008
Si3  .36872  .63501 .35927     .00838  .0052  .0086  .0108  -.0002  .0026  .0000
Si4  .49109  .88012 .36047     .00828  .0049  .0096  .0101  -.0001  .0027  .0009
Si5  .67395  .81556 .35909     .00837  .0065  .0085  .0112   .0005  .0046  .0006
Si6  .73864  .50791 .36208     .00839  .0068  .0084  .0112  -.0003  .0047 -.0002
O1   .65854  .40272 .34511      .0148  .0124  .0130  .0202  -.0047  .0076  .0007
O2   .65931  .22314 .44096      .0123  .0107  .0143  .0123   .0003  .0052 -.0006
O3   .61303  .14415 .30807      .0122  .0096  .0130  .0155  -.0004  .0065 -.0036
O4   .51486  .31007 .34026      .0139  .0069  .0185  .0176   .0024  .0060  .0004
O5   .35276  .23886 .30523      .0118  .0076  .0130  .0129  -.0005  .0022 -.0018
O6   .45262  .28303 .43917      .0143  .0125  .0163  .0144  -.0010  .0052 -.0003
O7   .40985  .48821 .35090      .0163  .0134  .0088  .0274   .0025  .0085 -.0007
O8   .27342  .65293 .30411      .0133  .0063  .0139  .0174  -.0013  .0021  .0010
O9   .37854  .65030 .43848      .0139  .0119  .0163  .0132  -.0013  .0045  .0000
O10  .42704  .74837 .34065      .0139  .0099  .0154  .0177  -.0037  .0067  .0017
O11  .52072  .92080 .44086      .0124  .0112  .0134  .0130  -.0006  .0050 -.0009
O12  .44828  .00452 .30824      .0117  .0068  .0133  .0149   .0006  .0042  .0023
O13  .57262  .82069 .34535      .0151  .0068  .0172  .0233   .0018  .0081  .0004
O14  .72871  .85392 .43847      .0136  .0128  .0143  .0133   .0000  .0045 -.0004
O15  .69498  .90701 .30395      .0120  .0128  .0109  .0144   .0019  .0074  .0030
O16  .69232  .65696 .34465      .0153  .0183  .0103  .0207   .0038  .0110  .0005
O17  .78572  .47659 .30994      .0117  .0124  .0121  .0146   .0006  .0092  .0000
O18  .80132  .49800 .44276      .0127  .0114  .0155  .0107   .0008  .0038 -.0001
O19  .10128   .0692 .45750  .78 .0132  .0143  .0152  .0140  -.0001  .0059 -.0008
F19  .10128   .0692 .45750  .23 .0132  .0143  .0152  .0140  -.0001  .0059 -.0008
H1     .097    .074  .4238  .78  .016
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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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