American Mineralogist Crystal Structure Database

3 matching records for this search.

Penkvilksite
Download hom/penkvilksite.pdf
Merlino S, Pasero M, Artioli G, Khomyakov A P
Download am/vol79/AM79_1185.pdf
American Mineralogist 79 (1994) 1185-1193
Penkvilksite, a new kind of silicate structure: OD character, X-ray
single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes
Note: polytype 2O
_database_code_amcsd 0001688
16.3721 8.7492 7.4020 90 90 90 Pnca
atom     x     y      z occ  Uiso
Ti       0    .5      0  .9 .0310
Zr       0    .5      0  .1 .0310
Si1  .0825 .1613  .1247     .0312
Si2  .1567 .4399  .2603     .0161
Na   .1023 .6911  .6220      .063
O1   .1599 .2612  .2006      .025
O2   .0501 .0372  .2695      .028
O3   .0074 .2704  .0633      .025
O4   .1162 .0507 -.0389      .033
O5   .1115 .5394  .1052      .021
O6     .25    .5  .2705      .016
OW   .1954 .6844 -.1548      .049
H1    .173  .586  -.108       .10
H2    .242  .650  -.232       .14
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Penkvilksite
Download hom/penkvilksite.pdf
Merlino S, Pasero M, Artioli G, Khomyakov A P
Download am/vol79/AM79_1185.pdf
American Mineralogist 79 (1994) 1185-1193
Penkvilksite, a new kind of silicate structure: OD character, X-ray
single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes
Note: polytype 1M
Data has been corrected according to the ICSD
_database_code_amcsd 0001689
8.956 8.727 7.387 90 112.74 90 P2_1/c
atom     x     y     z  Uiso
Ti       0    .5     0 .0072
Si1  .1598 .1599 .1981 .0081
Si2  .3138 .4423 .4067 .0082
Na   .1928 .6912 .7136 .0266
O1   .3136 .2621 .3462 .0124
O2   .1032 .0379 .3202 .0118
O3   .0207 .2781 .0677 .0119
O4   .2347 .0519 .0704 .0126
O5   .2091 .5387 .2153 .0109
O6      .5     0     0 .0142
OW   .3696 .6888 .0286 .0451
H1    .330  .605  .093   .17
H2    .488  .667  .066   .17
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View JMOL 3-D Structure (permalink)
 
Penkvilksite
Download hom/penkvilksite.pdf
Cadoni M, Ferraris G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=64&spage=87
Acta Crystallographica C64 (2008) i87-i90
Penkvilksite-2O: Na2TiSi4O11*2H2O
Locality: synthetic
Note: the second H could not be located
_database_code_amcsd 0010347
16.320 8.7378 7.3854 90 90 90 Pnca
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0     .5      0 .0080  .0120  .0076  .0045  .0008 -.0004 -.0005
Si1  .07996 .16049  .1236 .0078  .0131  .0069  .0035 -.0007  .0001 -.0007
Si2  .15690 .44096  .2605 .0078  .0112  .0090  .0032  .0000  .0000  .0001
Na    .0970  .6916  .6282 .0294   .045  .0103  .0324 -.0055 -.0193  .0045
O1    .1583  .2605  .1991 .0112   .016  .0088   .009  .0043 -.0036  .0010
O2    .0519  .0382  .2726 .0117   .016   .011   .007  .0024  .0011  .0023
O3    .0097  .2794  .0611 .0116   .013   .011   .011  .0042 -.0031  .0018
O4    .1146  .0513 -.0410 .0121   .019   .011   .007  .0017  .0064 -.0017
O5    .1063  .5405  .1149 .0110   .018  .0075  .0078 -.0030 -.0011  .0016
O6    .2500  .5000  .2702 .0130   .011   .017   .011  -.001   .000   .000
O7W   .1913  .6844 -.1457 .0410   .031   .056   .036  -.015  -.007   .027
H     .2575  .7027 -.1631  .070
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Total number of retrieved datasets: 3
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