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Orientite |
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Moore P B, Shen J, Araki T |
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American Mineralogist 70 (1985) 171-181 |
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Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal |
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structures of ruizite, macfallite and orientite |
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Locality: Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA |
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_database_code_amcsd 0000965 |
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9.074 19.130 6.121 90 90 90 Bbmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 .25 0 .25 .00300 .00055 .00535 .00001 -.00000 -.00004 |
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Mn2 .4549 .25 .2499 .5 .01386 .00191 .02308 0 .00135 0 |
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Ca .6978 .1585 0 .00871 .00053 .00713 .00017 0 0 |
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Si1 .1057 .25 0 .5 .00934 .00104 .01450 0 0 0 |
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O1 .9833 .1808 0 .00835 .00042 .00835 .00034 0 0 |
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O2 .2049 .25 .2245 .00520 .00063 .01077 0 -.00005 0 |
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Si2 .0301 .097 0 .00373 .00043 .00605 .00006 0 0 |
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O3 .1294 .0812 .2164 .00327 .00076 .00886 .00018 .00066 -.00021 |
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O4 .8729 .0584 0 .00333 .00104 .00681 .00004 0 0 |
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OH5 .3677 .0308 0 .00374 .00078 .00950 -.00006 0 0 |
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OH6 .4325 .1766 0 .5 .01277 .00145 .02100 -.00061 0 0 |
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OH7 .4325 .1766 0 .5 .01277 .00145 .02100 -.00061 0 0 |
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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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Orientite |
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Mellini M, Merlino S, Pasero M |
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American Mineralogist 71 (1986) 176-187 |
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X-ray and HRTEM structure analysis of orientite |
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_database_code_amcsd 0001007 |
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9.044 6.091 19.031 90 90 90 P2mm |
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atom x y z occ Biso |
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Ca1 .2876 .5 .1608 .39 |
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Ca2 .8136 0 .1569 .75 |
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Ca3 .7093 .5 .6571 1.38 |
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Ca4 .1836 0 .6578 .36 |
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Mn1 .2560 .2511 .0018 .19 |
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Mn2 .5507 .2488 .25 .84 .06 |
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Mn3 .7511 .2591 -.0028 .47 |
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Si1 -.0256 .5 .0934 1.12 |
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Si2 .4763 0 .1006 .06 |
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Si3 -.1026 .5 .25 .84 .06 |
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Si4 .1949 0 .25 .84 .37 |
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Si5 .0454 .5 .5963 .06 |
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Si6 .5258 0 .5971 .25 |
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Si7 .1197 .5 .75 .42 |
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Si8 .6029 0 .75 .68 4.38 |
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Mn2A .0691 .2295 .25 .16 1.41 |
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Si3A .3929 0 .25 .16 .06 |
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Si4A .6936 .5 .25 .16 .06 |
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Mn2B .4615 .2534 .75 .32 .49 |
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Si4B .7956 0 .75 .32 1.00 |
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O1 .3788 .2143 .0791 .62 |
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O2 .8691 .2886 .0781 .30 |
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O3 .1394 .5 .0616 1.25 |
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O4 .6301 0 .0579 .06 |
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O5 .2932 .2383 .25 1.64 |
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O6 .7910 .2840 .25 .74 |
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O7 .5599 0 .1779 .36 |
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O8 .0110 .5 .1810 1.02 |
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OH9 .0694 0 .1799 1.62 |
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OH10 .1301 0 .0247 .56 |
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O11 .6409 .5 .0292 .06 |
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OH12 .5284 .5 .1806 2.14 |
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O13 .6270 .2137 .5877 .19 |
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O14 .1289 .2615 .5807 1.07 |
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O15 -.1165 .5 .5604 1.08 |
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O16 .3778 0 .5515 .42 |
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O17 .1954 .2537 .75 .93 |
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O18 .4813 0 .6834 .06 |
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O19 .0060 .5 .6768 .40 |
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OH20 .8617 0 .5410 .06 |
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OH21 .3773 .5 .5268 1.10 |
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O22 .7054 .2104 .75 .05 |
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OH23 -.0782 0 .6799 2.01 |
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OH24 .4300 .5 .6771 .72 |
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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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