American Mineralogist Crystal Structure Database

1 matching records for this search.

Tinaksite
Download hom/tinaksite.pdf
Bissert G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=259
Acta Crystallographica B36 (1980) 259-263
Verfeinerung der struktur von tinaksit, Ca2K2NaTiO[Si7O18(OH)]
Note: z-coordinate of Si4 adjusted to match reported bond lengths
_database_code_amcsd 0009701
10.377 12.166 7.059 90.91 99.3 92.76 P-1
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K1   .6563 .8991  .7771       .0064  .0045  .0204 -.0014  .0020 -.0025
K2   .5522 .6495  .2713       .0029  .0029  .0064  .0002  .0009 -.0002
Na   .0222 .8896  .3888       .0024  .0021  .0066  .0007  .0008  .0003
Ca1  .1210 .5932  .9114       .0012  .0012  .0032  .0001  .0005  .0001
Ca2  .1240 .5796  .4092       .0010  .0011  .0022  .0000  .0004 -.0002
Ti   .0131 .8992  .8971       .0012  .0009  .0026  .0000  .0006 -.0001
Si1  .1297 .3087  .8737       .0013  .0011  .0022  .0002  .0005 -.0003
Si2  .1286 .3010  .4257       .0013  .0013  .0020  .0001  .0005  .0001
Si3  .3155 .4164  .1982       .0009  .0012  .0031  .0001  .0005 -.0002
Si4  .6828 .1819 -.0035       .0015  .0015  .0027  .0003  .0005 -.0002
Si5  .6889 .1884  .5690       .0017  .0015  .0030  .0004  .0008  .0001
Si6  .6027 .3515  .2680       .0010  .0014  .0032  .0002  .0005  .0000
Si7  .7235 .0105  .2807       .0016  .0012  .0033  .0002  .0006 -.0001
O1   .2748 .3454  .9972       .0015  .0023  .0050 -.0002  .0000 -.0010
O2   .0800 .1936  .9485       .0027  .0013  .0074 -.0001  .0018  .0010
O3   .0336 .4068  .8726       .0020  .0012  .0048  .0007  .0009 -.0002
O4   .1638 .2835  .6578       .0028  .0023  .0030  .0005  .0014 -.0001
O5   .0810 .1823  .3344       .0028  .0017  .0061  .0000  .0003 -.0010
O6   .0307 .3982  .3799       .0020  .0017  .0052  .0003  .0007 -.0001
O7   .2725 .3393  .3681       .0014  .0024  .0050  .0000  .0009  .0012
O8   .2579 .5342  .1902       .0021  .0015  .0055  .0004  .0006  .0000
O9   .4753 .4260  .2394       .0010  .0016  .0050  .0004  .0004 -.0005
O10  .5936 .2767  .0706       .0024  .0027  .0051  .0010  .0004 -.0010
O11  .6429 .0652  .0890       .0019  .0023  .0054 -.0002 -.0002  .0005
O12  .8345 .2143  .0588       .0017  .0015  .0060  .0003  .0007  .0000
O13  .6316 .1705  .7675       .0024  .0026  .0029  .0004  .0008 -.0002
O14  .8314 .2412  .5927       .0019  .0027  .0069  .0003  .0007  .0008
O15  .6737 .0649  .4671       .0036  .0020  .0060  .0004  .0028 -.0005
O16  .5827 .2654  .4391       .0020  .0020  .0053  .0006  .0004  .0012
O17  .7321 .4279  .3079       .0015  .0019  .0053  .0001  .0007  .0000
O18  .6706 .8827  .2731       .0027  .0013  .0149  .0002  .0008 -.0003
O19  .8779 .0265  .2889       .0013  .0023  .0041  .0001  .0009  .0004
O20  .9005 .0120  .8803       .0015  .0014  .0039  .0005 -.0001 -.0002
H    .2822 .1583  .7081    1
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