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