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Hogtuvaite |
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Grew E S, Barbier J, Britten J, Yates M G, Polyakov V O, Shcherbakova E P, |
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Halenius U, Shearer C K |
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American Mineralogist 90 (2005) 1402-1412 |
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Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the |
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aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern |
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Urals), Russia |
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Sample: N86 |
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_database_code_amcsd 0003891 |
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10.322 10.729 8.8624 105.802 96.185 124.758 P-1 |
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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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Fe1 0 0 .5 .96 .0093 .0060 .0050 .0127 .0019 .0020 .0028 |
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Mg1 0 0 .5 .04 .0093 .0060 .0050 .0127 .0019 .0020 .0028 |
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Fe2 0 .5 0 .98 .0091 .0054 .0079 .0097 .0022 .0037 .0025 |
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Mg2 0 .5 0 .02 .0091 .0054 .0079 .0097 .0022 .0037 .0025 |
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Fe3 .32158 .86003 .17413 .0092 .0066 .0090 .0103 .0039 .0031 .0042 |
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Fe4 .77030 .82192 .14404 .97 .0093 .0073 .0071 .0124 .0036 .0031 .0046 |
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Mg4 .77030 .82192 .14404 .03 .0093 .0073 .0071 .0124 .0036 .0031 .0046 |
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Fe5 .09624 .94393 .06329 .94 .00963 .0056 .0103 .0123 .0032 .0050 .0074 |
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Mg5 .09624 .94393 .06329 .06 .00963 .0056 .0103 .0123 .0032 .0050 .0074 |
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Fe6 .59480 .94021 .06198 .00915 .0062 .0062 .0122 .0019 .0034 .0050 |
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Ti7 .99496 .73673 .26250 .24 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
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Fe7 .99496 .73673 .26250 .70 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
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Al7 .99496 .73673 .26250 .03 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
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Sn7 .99496 .73673 .26250 .03 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
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Ca8 .21814 .63211 .39465 .73 .0125 .0123 .0097 .0124 .0050 .0036 .0052 |
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Na8 .21814 .63211 .39465 .27 .0125 .0123 .0097 .0124 .0050 .0036 .0052 |
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Ca9 .65129 .60064 .37812 .98 .0152 .0108 .0085 .0117 -.0013 .0060 .0028 |
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Na9 .65129 .60064 .37812 .02 .0152 .0108 .0085 .0117 -.0013 .0060 .0028 |
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Si1 .4691 .2375 .3324 .50 .0065 .0060 .0051 .0074 .0026 .0026 .0034 |
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Be1 .4691 .2375 .3324 .50 .0065 .0060 .0051 .0074 .0026 .0026 .0034 |
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Si2 .9826 .2356 .3424 .90 .0054 .0046 .0050 .0069 .0025 .0029 .0036 |
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Be2 .9826 .2356 .3424 .05 .0054 .0046 .0050 .0069 .0025 .0029 .0036 |
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Al2 .9826 .2356 .3424 .05 .0054 .0046 .0050 .0069 .0025 .0029 .0036 |
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Si3 .7860 .3426 .2417 .67 .0056 .0032 .0031 .0082 .0010 .0019 .0021 |
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Al3 .7860 .3426 .2417 .30 .0056 .0032 .0031 .0082 .0010 .0019 .0021 |
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Fe3 .7860 .3426 .2417 .03 .0056 .0032 .0031 .0082 .0010 .0019 .0021 |
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Si4 .2728 .3363 .2265 .49 .0064 .0061 .0055 .0085 .0033 .0047 .0039 |
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Be4 .2728 .3363 .2265 .51 .0064 .0061 .0055 .0085 .0033 .0047 .0039 |
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Si5 .64348 .94276 .44604 .0058 .0052 .0048 .0060 .0024 .0018 .0025 |
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Si6 .35714 .55803 .05037 .0059 .0042 .0035 .0085 .0013 .0038 .0029 |
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O1 .3507 .0659 .1652 .0101 .012 .008 .005 .003 .0019 .0019 |
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O2 .8556 .0639 .1731 .0105 .010 .008 .007 .005 .0004 .0010 |
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O3 .5543 .9540 .2947 .0102 .011 .009 .008 .005 .0021 .0044 |
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O4 .0159 .9350 .2697 .0125 .014 .012 .011 .010 .0025 .0025 |
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O5 .2428 .8751 .3929 .0081 .009 .005 .006 .003 -.0003 .0019 |
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O6 .7508 .8792 .3898 .0085 .007 .007 .014 .004 .0049 .0054 |
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O7 .4940 .1969 .4955 .0082 .006 .008 .0076 .0021 .0036 .0039 |
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O8 .9539 .7803 .4896 .0091 .012 .008 .011 .006 .0060 .0082 |
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O9 .8894 .3180 .3798 .0105 .013 .012 .011 .008 .0081 .0077 |
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O10 .3956 .3377 .3609 .0090 .012 .012 .011 .009 .0078 .0090 |
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O11 .6567 .1694 .0659 .0116 .009 .010 .017 .005 .009 .0066 |
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O12 .1489 .1651 .0607 .0105 .010 .010 .011 .006 .0037 .0026 |
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O13 .5283 .7108 .0407 .0083 .006 .008 .011 .0032 .0050 .0061 |
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O14 .0673 .7330 .0632 .0125 .007 .012 .012 .004 .0041 .0024 |
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O15 .2442 .6124 .1137 .0110 .010 .012 .012 .007 .0039 .0067 |
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O16 .7443 .6010 .1322 .0090 .006 .008 .011 .003 .0043 .0051 |
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O17 .3984 .4976 .1872 .0090 .005 .012 .012 .0053 .0044 .0090 |
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O18 .9423 .5129 .2229 .0128 .008 .011 .015 .006 -.0007 .0030 |
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O19 .1578 .3693 .3167 .0096 .012 .005 .015 .006 .0085 .0049 |
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O20 .6661 .3698 .3365 .0101 .005 .006 .013 .0014 .0026 .0031 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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