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Zeophyllite |
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Merlino S |
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Acta Crystallographica B28 (1972) 2726-2732 |
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The crystal structure of zeophyllite |
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Locality: Radzein, Bohemia, Czech Republic |
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_database_code_amcsd 0009455 |
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9.36 9.36 36.48 90 90 120 R-3 |
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atom x y z occ Biso |
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Ca1 0 0 0 .2 .71 |
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Al1 0 0 0 .7 .71 |
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Mg1 0 0 0 .1 .71 |
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Ca2 .4323 .1473 .01308 .70 |
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Ca3 .4612 .3560 .09470 .983 .90 |
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Na3 .4612 .3560 .09470 .017 .90 |
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Si1 0 0 .11677 .77 |
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Si2 .0898 .3024 .07305 .72 |
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Si3 1/3 2/3 .06531 .73 |
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O1 0 0 .16057 1.85 |
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O2 .1302 .1855 .09984 1.01 |
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O3 .2589 .4804 .08136 .95 |
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O4 .3790 .0755 .08314 1.31 |
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O5 .0803 .2514 .03042 .85 |
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O6 1/3 2/3 .02123 1.29 |
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F1 .4392 .3899 .03009 1.10 |
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F2 2/3 1/3 .05399 .7 .58 |
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Of2 2/3 1/3 .05399 .3 .58 |
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F3 2/3 1/3 .12641 .5 1.40 |
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OHf3 2/3 1/3 .12641 .5 1.40 |
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Wat7 .4459 .4607 .15377 3.18 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Zeophyllite |
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Mikenda W, Pertlik F, Povondra P, Ulrych J |
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Mineralogy and Petrology 61 (1997) 199-209 |
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On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations |
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Locality: Alter Berg, Radzein |
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Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths |
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_database_code_amcsd 0014639 |
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9.377 9.377 36.57 90 90 120 R-3 |
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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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Ca1 0 0 0 .0147 .0147 .0159 0 0 .0073 |
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Ca2 .14739 .43212 .01306 .0104 .0105 .0155 .0003 .0001 .0027 |
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Ca3 .35721 .46172 .09488 .0129 .0148 .0179 -.0002 -.0003 .0036 |
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Si1 0 0 .11682 .0168 .0168 .0141 0 0 .0084 |
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Si2 .30188 .08902 .07304 .0096 .0099 .0137 -.0001 .0001 .0028 |
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Si3 2/3 1/3 .06523 .0133 .0133 .0120 0 0 .0067 |
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O1 0 0 .16056 .0332 .0332 .0217 0 0 .0166 |
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O2 .1842 .1290 .09947 .0135 .0132 .0207 -.0003 .0023 .0038 |
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O3 .4807 .2588 .08129 .0102 .0132 .0160 -.0006 .0002 .0027 |
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O4 .0749 .3811 .08284 .0126 .0106 .0239 -.0005 -.0009 .0023 |
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O5 2/3 1/3 .02143 .0190 .0190 .0124 0 0 .0095 |
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O6 .2521 .0802 .03057 .0137 .0012 .0145 .0031 -.0009 -.0005 |
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F1 .3887 .4388 .03029 .0156 .0141 .0173 -.0008 -.0004 .0044 |
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F2 1/3 2/3 .05388 .0203 .0203 .0191 0 0 .0102 |
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F3 1/3 2/3 .12686 .0356 .0356 .0281 0 0 .0178 |
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Oh2 .4630 .4466 .15352 .0482 .0577 .0289 .0008 -.0035 .0191 |
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H1 .376 .363 .1665 .015 |
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H2 .576 .469 .1604 .015 |
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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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