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Svenekite |
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Ferraris G, Jones D W, Yerkess J |
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Acta Crystallographica B28 (1972) 2430-2437 |
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A neutron diffraction study of the crystal structure of calcium |
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bis(dihydrogen arsenate), Ca(H2AsO4)2 |
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Locality: synthetic |
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_database_code_amcsd 0018340 |
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8.558 7.697 5.721 92.35 109.52 109.59 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As1 .34157 .23990 -.01476 .00298 .00406 .00744 .00079 .00207 .00131 |
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As2 .18712 .76648 .33085 .00325 .00387 .00779 .00121 .00182 .00046 |
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Ca1 .0815 .1866 .3125 .00592 .00558 .00992 .00196 .00307 .00145 |
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O1 .1741 .0617 .0032 .00449 .00480 .01036 .00046 .00289 .00112 |
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O2 .3785 .4014 .2368 .00614 .00666 .01152 .00084 .00364 -.00098 |
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O3 .5417 .2082 .0734 .00472 .00886 .01355 .00303 .00257 .00210 |
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O4 .3109 .3252 -.2793 .00587 .00534 .00886 .00074 .00201 .00204 |
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O5 .0454 .6701 .0306 .00743 .00367 .01027 .00168 .00037 .00065 |
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O6 .1255 .9065 .4759 .00605 .00539 .01143 .00271 .00420 .00105 |
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O7 .1701 .5672 .4665 .00690 .00602 .01214 .00261 .00245 .00322 |
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O8 .3971 .8595 .3405 .00414 .00803 .01462 .00121 .00402 -.00039 |
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H1 .5672 .1760 -.0775 .00730 .01372 .02507 .00434 .00565 .00079 |
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H2 .4895 .5151 .2763 .00890 .00769 .02179 -.00032 .00295 -.00184 |
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H3 .2593 .5993 .6362 .01287 .01886 .01860 .00705 .00144 .00672 |
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H4 0 .5 0 .01011 .01470 .01639 .00453 .00251 .00336 |
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H5 .5 0 .5 .01175 .01646 .02835 .00784 .00992 .00876 |
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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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Svenekite |
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Chiari G, Ferraris G |
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Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali 105 (1971) 725-743 |
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The crystal structure of calcium dihydrogen arsenate, Ca(H2AsO4)2 |
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Locality: synthetic |
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_database_code_amcsd 0018339 |
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8.558 7.697 5.721 92.583 109.867 109.983 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .08155 .18633 .31161 .00541 .00598 .00741 .00099 .00139 .00113 |
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As1 .34162 .23977 -.01531 .00469 .00538 .00884 .00075 .00171 .00119 |
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As2 .18696 .76630 .33088 .00478 .00528 .00946 .00094 .00165 .00086 |
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O1 .1743 .0612 .0029 .00469 .00652 .00982 .00066 .00133 .00139 |
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OH2 .3781 .4013 .2355 .00969 .00978 .01286 .00198 .00368 .00086 |
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OH3 .5319 .2080 .0759 .00568 .01112 .00625 .00170 .00025 -.00033 |
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O4 .3097 .3241 -.2816 .00672 .00820 .00893 .00141 .00120 .00225 |
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OH5 .0473 .6716 .0331 .00757 .00420 .00866 .00075 -.00006 .00099 |
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O6 .1252 .9062 .4767 .00902 .00751 .01054 .00259 .00323 .00113 |
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OH7 .1713 .5671 .4679 .00798 .00761 .01357 .00141 .00177 .00299 |
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O8 .3965 .8607 .3366 .00491 .00820 .01402 .00004 .00165 -.00033 |
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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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Svenekite |
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Ondrus P, Skala R, Plasil J, Sejkora J, Veselovsky F, Cejka J, Kallistova A, |
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Hlousek J, Fejfarova K, Skoda R, Dusek M, Gabasova A, Machovic V, Lapcak L |
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Mineralogical Magazine 77 (2013) 2711-2724 |
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Svenekite, Ca[AsO2(OH)2]2. a new mineral from Jachymov, Czech Republic |
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Locality: Jachymov, Czech Republic |
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_database_code_amcsd 0019984 |
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8.5606 7.6926 5.7206 92.605 109.9002 109.9017 P-1 |
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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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Ca .08168 .18648 .31266 .0127 .0119 .0150 .0105 .0022 .0041 .0044 |
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As1 .34172 .23993 .98495 .01135 .0091 .0136 .0103 .0019 .0045 .0021 |
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As2 -.18668 .23399 .66951 .01220 .0108 .0129 .0126 .0009 .0046 .0040 |
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O1 -.1744 -.0618 -.0028 .0149 .011 .015 .017 .003 .008 .000 |
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O2 .3771 .4001 .2362 .0207 .0200 .0204 .0178 -.0042 .0105 .0009 |
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O3 .5416 .2079 .0750 .0211 .0149 .0351 .0168 .0061 .0076 .0120 |
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O4 .3116 .3252 .7213 .0152 .0143 .0159 .0113 .0049 .0037 .0015 |
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O5 -.0457 .3292 -.0304 .0168 .0197 .0112 .0124 -.0010 .0001 .0037 |
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O6 -.1254 .0935 .5244 .0144 .0155 .0151 .0153 .0006 .0082 .0067 |
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O7 -.1691 .4339 .5344 .0206 .0172 .0232 .0157 .0051 .0000 .0068 |
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O8 -.3974 .1412 .6588 .0186 .0117 .0227 .0199 -.0042 .0088 .0029 |
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H2 -.229 .410 .431 .0248 |
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H3 .449 .463 .253 .0248 |
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H5 .559 .202 .983 .0253 |
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H7 0 .5 0 .0202 |
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H8 .5 0 .5 .0223 |
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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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