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Bouazzerite |
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Brugger J, Meisser N, Krivovichev S, Armbruster T, Favreau G |
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American Mineralogist 92 (2007) 1630-1639 |
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Mineralogy and crystal structure of bouazzerite from Bou Azzer, Anti-Atlas, Morocco: |
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Bi-As-Fe nanoclusters containing Fe3+ in trigonal prismatic coordination |
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Locality: Bou Azzer, Anti-Atlas, Morocco |
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_database_code_amcsd 0018980 |
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13.6322 30.469 18.4671 90 91.134 90 P2_1/n |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .33234 .439265 .05963 .01694 .0176 .0157 .0176 .0002 .0009 .0013 |
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Bi2 .38659 .271567 .19862 .01812 .0204 .0149 .0191 .0006 .0010 -.0009 |
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Bi3 .35259 .423520 .37927 .01714 .0179 .0178 .0158 .0000 .0010 -.0004 |
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Mg1 .5 .5 .5 .76 .022 .020 .027 .018 -.002 -.001 -.002 |
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Co1 .5 .5 .5 .24 .022 .020 .027 .018 -.002 -.001 -.002 |
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Fe1 .19098 .33957 .30552 .0196 .0202 .0187 .0200 -.0001 .002 .0006 |
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Fe2 .55546 .35884 .29353 .0183 .0183 .0199 .0166 .0010 .0008 -.0007 |
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Fe3 .15471 .42957 .21954 .0187 .0192 .0182 .0188 .0006 .0024 -.0006 |
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Fe4 .54076 .35731 .12029 .0187 .0191 .0189 .0182 .0020 .0017 .0013 |
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Fe5 .35571 .37933 .21313 .0153 .0179 .0139 .0141 .0017 .0002 .0014 |
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Fe6 .51905 .44607 .20669 .0198 .0177 .0219 .0197 .0011 .0014 -.0006 |
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Fe7 .17860 .34025 .13515 .0198 .0193 .0183 .0218 .0000 .002 -.0002 |
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As1 .61733 .45153 .36421 .0172 .0141 .0202 .0173 .0001 .0001 -.0036 |
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As2 .32019 .50594 .25068 .0177 .0188 .0158 .0187 -.0005 .0015 -.0002 |
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As3 .39425 .29800 .38449 .0173 .0194 .0168 .0158 .0027 .0000 .0023 |
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As4 .35232 .32830 .01404 .0183 .0213 .0175 .0161 .0027 -.0003 -.0012 |
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As5 .09272 .42095 .38783 .0168 .0144 .0189 .0171 .0017 .0016 -.0020 |
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As6 .12300 .25221 .21955 .0184 .0209 .0145 .0199 -.0016 .0021 .0018 |
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As7 .58885 .44700 .04135 .0172 .0165 .0188 .0165 -.0013 .0013 -.0001 |
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As8 .64960 .27860 .20621 .0205 .0194 .0221 .0199 .0060 .0007 .0010 |
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As9 .06318 .42076 .05797 .0173 .0164 .0178 .0176 .0014 -.0001 .0009 |
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Mg2 .1429 .45627 -.1023 .0119 .016 .011 .009 .0024 .002 .0012 |
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Mg3 .3684 .60454 .1802 .0215 .024 .017 .025 -.003 .009 -.001 |
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Mg4 -.1410 .45746 .4274 .0180 .019 .015 .020 .003 .000 -.007 |
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Mg5 .3529 .21064 .4977 .0224 .027 .020 .020 .000 .001 .005 |
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Mg6 .3875 .23984 -.0901 .0212 .020 .023 .021 .001 .000 -.002 |
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O1 .4783 .4497 -.0015 .019 |
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OH2 .1044 .3655 .2227 .014 |
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O3 .6527 .3118 .2806 .022 |
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O4 .1250 .2827 .2975 .024 |
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O5 .4385 .4054 .1342 .011 |
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O6 .2755 .3241 .2206 .014 |
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O7 .2560 .4007 .2890 .013 |
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O8 .4512 .4076 .2826 .014 |
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O9 .1032 .3652 .3775 .020 |
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Wat10 .4777 .5628 .1400 .025 |
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O11 .0602 .4449 .1418 .020 |
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O12 .0876 .3659 .0648 .022 |
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O13 .4661 .3331 .2109 .016 |
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O14 .4045 .2715 .4614 .020 |
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O15 .0294 .2170 .2220 .026 |
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O16 .2111 .4876 .2163 .021 |
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O17 .5982 .4741 .2807 .019 |
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OH18 .6067 .3917 .2046 .014 |
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O19 .6770 .4706 -.0058 .017 |
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O20 .5169 .4587 .4137 .020 |
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O21 -.0482 .4262 .0181 .018 |
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O22 -.0018 .4317 .4429 .022 |
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O23 .3384 .4883 .3369 .021 |
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O24 .5867 .4720 .1235 .015 |
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O25 .2465 .3997 .1458 .018 |
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O26 .3199 .3811 -.0049 .021 |
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O27 .7147 .4750 .4033 .019 |
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O28 .1967 .4413 .4252 .018 |
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O29 .1023 .2859 .1477 .025 |
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O30 .6178 .3920 .0510 .021 |
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O31 .6379 .3103 .1311 .021 |
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O32 .2901 .3281 .3822 .023 |
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O33 .4650 .3243 .0504 .028 |
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O34 .0698 .4430 .3039 .019 |
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O35 .4876 .3343 .3752 .024 |
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O36 .2727 .3094 .0754 .025 |
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O37 .2315 .2254 .2110 .023 |
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O38 .3258 .5597 .2553 .026 |
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O39 .6383 .3963 .3561 .018 |
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O40 .3912 .2613 .3141 .020 |
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Wat41 .2649 .6473 .2237 .027 |
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Wat42 .4774 .6339 .2394 .031 |
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Wat43 .1706 .5226 -.0833 .023 |
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Wat44 .2973 .4515 -.1091 .032 |
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Wat45 .3853 .2589 -.1963 .026 |
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Wat46 .4260 .5459 .4350 .039 |
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O47 .7550 .2506 .2001 .030 |
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O48 .4075 .4869 .1955 .022 |
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Wat49 .2109 .2349 .5216 .034 |
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Wat50 -.1601 .4707 .5362 .027 |
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Wat51 -.1913 .3913 .4357 .033 |
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O52 .3438 .3007 -.0626 .022 |
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Wat53 .3954 .2249 .6036 .036 |
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O54 .5528 .2445 .2139 .029 |
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Wat55 -.0882 .5232 .4247 .029 |
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Wat56 .2431 .2182 -.0983 .036 |
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Wat57 -.0102 .4652 -.1074 .032 |
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Wat58 .4272 .1750 -.1263 .030 |
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Wat59 .6318 .5347 .4841 .028 |
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Wat60 .5391 .2558 -.0870 .028 |
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O61 .1509 .4456 .0088 .021 |
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Wat62 -.1199 .4568 .3128 .032 |
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Wat63 .3986 .2165 .0168 .034 |
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Wat64 .3988 .6489 .0916 .038 |
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Wat65 .4886 .1848 .4749 .041 |
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Wat66 .3128 .1456 .5293 .037 |
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Wat67 .2574 .5805 .1094 .039 |
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Wat68 .1341 .4598 -.2162 .048 |
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Wat69 .3000 .1981 .3935 .047 |
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Wat70 .1369 .3884 -.1066 .053 |
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Wat71 -.0910 .3445 .2200 .038 |
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Wat72 .7911 .4167 .1951 .036 |
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Wat73 .6594 .6333 .1730 .038 |
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Wat74 -.2016 .4103 .6398 .051 |
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Wat75 .2544 .1745 .0891 .046 |
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Wat76 .0392 .5398 .3011 .059 |
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Wat77 .5131 .1416 .0439 .055 |
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Wat78 .1989 .3255 .5219 .050 |
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Wat79 .6083 .2018 .3542 .064 |
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Wat80 .4075 .6305 .4859 .065 |
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Wat81 .1155 .2354 .0102 .059 |
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Wat82 .5475 .6775 .4092 .103 |
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Wat83 .7577 .6598 .2972 .126 |
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Wat84 .0722 .6223 .1897 .108 |
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Wat85 .5205 .1556 .1892 .156 |
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Wat86 .6604 .6117 .4151 .193 |
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Wat87 .3013 .4441 -.2934 .194 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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