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MoAs2O7 |
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Hums E, Burzlaff H, Rothammel W |
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Acta Crystallographica C49 (1993) 641-642 |
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Structure of MoAs2O7: corrigendum and addendum |
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Note: AnisoU's from ICSD |
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_database_code_amcsd 0010284 |
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16.14 4.550 7.788 90 100.07 90 P2_1/n |
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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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Mo .09911 .0005 .15991 .0097 .0101 .0053 .0138 -.0001 -.0019 .0006 |
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As1 .05763 .4606 .82515 .0092 .0103 .0047 .0127 .0003 .0004 -.0001 |
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As2 .21193 .5757 .6156 .0118 .0124 .0093 .0137 .0001 .0009 .0014 |
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O1 .1260 .2582 .9669 .0121 .013 .008 .015 .001 .000 .001 |
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O2 .1051 .587 .6647 .0141 .011 .014 .017 .003 .000 .001 |
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O3 .1251 .220 .3338 .0168 .022 .011 .017 -.005 -.003 -.002 |
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O4 .0252 .7602 .9266 .0092 .012 .005 .011 .001 .002 -.002 |
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O5 .9755 .260 .7284 .0127 .013 .011 .014 -.004 -.002 -.001 |
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O6 .1837 .784 .1638 .0183 .013 .017 .025 .000 .000 .007 |
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O7 .2369 .207 .6758 .0180 .025 .009 .020 .005 -.008 -.002 |
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Dansite |
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Burzlaff H, Grube H H |
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Zeitschrift fur Kristallographie 152 (1980) 83-93 |
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Strukturverfeinerung und zwillingsgesetz am Zn-d'ansit |
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_database_code_amcsd 0010830 |
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15.9132 15.9132 15.9132 90 90 90 I-43d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 .37494 .34862 .11774 .00203 .00214 .00175 .00025 -.00029 -.00020 |
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Na2 .5178 .2456 .4568 .5 .0038 .0030 .00138 -.0005 -.00011 .0000 |
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Zn .3296 .3296 .3296 .25 .00282 .00282 .00282 .0004 .0004 .0004 |
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Na .3296 .3296 .3296 .75 .00282 .00282 .00282 .0004 .0004 .0004 |
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S1 .25 .26832 .5 .00192 .00100 .00115 0 -.00017 0 |
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S2 .4607 .4607 .4607 .00127 .00127 .00127 .00009 .00009 .00009 |
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O1 .0883 .4744 .4637 .0057 .0042 .0028 -.0021 .0022 -.0009 |
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O2 .2322 .0339 .4261 .00223 .00179 .00223 -.00001 -.00006 .00049 |
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O3 .0177 .3227 .0727 .0030 .0031 .0027 -.00062 -.00004 -.00172 |
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O4 .4079 .4079 .4079 .0081 .0081 .0081 -.0030 -.0030 -.0030 |
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Cl .25 .375 0 .00160 .00133 .00160 0 0 0 |
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Talc |
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Perdikatsis B, Burzlaff H |
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Zeitschrift fur Kristallographie 156 (1981) 177-186 |
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Strukturverfeinerung am talk Mg3[(OH)2Si4O10] |
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_database_code_amcsd 0010839 |
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5.290 9.173 9.460 90.46 98.68 90.09 C-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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Si1 .24527 .50259 .29093 .0087 .0074 .0095 .0002 .0014 .0000 |
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Si2 .24590 .83587 .29108 .0086 .0074 .0097 .0003 .0019 -.0003 |
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Mg1 0 0 0 .0076 .0069 .0097 .0001 .0017 -.0001 |
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Mg2 .50012 .83332 .99994 .0078 .0069 .0101 .0000 .0015 -.0004 |
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O1 .1991 .8344 .1176 .0100 .0094 .0106 .0000 .0017 -.0001 |
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O2 .6970 .6674 .1126 .0121 .0102 .0110 .0005 .0017 -.0001 |
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O3 .1980 .5012 .1176 .0103 .0094 .0097 .0000 .0012 .0000 |
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O4 .0199 .9287 .3481 .0104 .0136 .0133 .0044 .0015 -.0010 |
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O5 .5202 .9109 .3494 .0112 .0141 .0124 -.0032 .0022 .0000 |
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O6 .2429 .6699 .3484 .0162 .0085 .0120 .0002 .0024 .0002 |
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H .719 .669 .203 .0076 |
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Smithite |
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Hellner E, Burzlaff H |
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Naturwissenschaften 51 (1964) 35-36 |
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Die struktur des smithits AgAsS2 |
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Locality: Legenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0014690 |
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17.23 7.78 15.19 90 101.20 90 A2/a |
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atom x y z Biso |
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Ag1 .0908 .1195 .3561 3.12 |
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Ag2 .4189 .6201 .4325 3.88 |
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Ag3 .2500 .3877 .5000 3.38 |
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Ag4 .2500 .8740 .5000 3.10 |
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As1 .2661 .3636 .2530 1.02 |
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As2 .4216 .1231 .1728 1.04 |
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As3 .4143 .1243 .4079 1.06 |
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S1 .1013 .9115 .4985 1.5 |
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S2 .0863 .4141 .4299 1.4 |
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S3 .2208 .6736 .1267 1.3 |
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S4 .2860 .1645 .1427 1.3 |
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S5 .3875 .4684 .2833 1.6 |
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S6 .0725 .4450 .2072 1.3 |
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Heidornite |
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Burzlaff H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1967 (1967) 157-169 |
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Die struktur des heidornit Ca3Na2Cl(SO4)2B5O8(OH)2 |
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_database_code_amcsd 0014732 |
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10.21 7.84 18.79 90 93.5 90 C2/c |
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atom x y z Biso |
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Ca1 0 .3933 .25 .31 |
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Ca2 .4100 .2425 .40308 .47 |
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Na .1564 .2781 .0770 1.55 |
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Cl 0 0 0 1.02 |
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S .1371 .4779 .42205 .47 |
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O11 .0129 .4537 .3757 1.32 |
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O12 .1407 .3531 .4795 1.59 |
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O13 .2503 .4555 .3780 1.55 |
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O14 .1350 .6534 .4502 1.30 |
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B1 .3348 .4866 .1829 .6 |
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B2 .2620 .2314 .2504 .5 |
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B3 .5 .3054 .25 .89 |
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O21 .1552 .1419 .2717 .85 |
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O22 .2278 .3716 .2098 .67 |
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O23 .4616 .4004 .1845 .72 |
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O24 .3899 .1893 .2706 .77 |
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O25 .2799 .5355 .1116 .77 |
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H .1934 .0167 .4465 .72 |
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