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Werdingite |
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Niven M L, Waters D J, Moore J M |
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American Mineralogist 76 (1991) 246-256 |
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The crystal structure of werdingite, (Mg,Fe)2Al12(Al,Fe)2Si4(B,Al)4O37, and |
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its relationship to sillimanite, mullite and grandidierite |
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_database_code_amcsd 0001344 |
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7.995 8.152 11.406 110.45 110.85 84.66 P-1 |
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atom x y z occ Uiso |
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Fe41 .6624 .1674 .0827 .21 .0073 |
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Al41 .6624 .1674 .0827 .79 .0073 |
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Al61 0 0 0 .5 .0053 |
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Al62 .0068 .0020 .2564 .0044 |
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Al63 0 0 .5 .5 .0040 |
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Al64 .5 .5 0 .5 .0049 |
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Al65 .5046 .4952 .2506 .0040 |
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Al66 .5 .5 .5 .5 .0036 |
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Al51 .1523 .3177 .7413 .0041 |
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Al52 .2297 .6777 .3522 .0042 |
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Fe51 .1209 .3153 .2353 .16 .0049 |
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Mg51 .1209 .3153 .2353 .84 .0049 |
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Si41 .6496 .1554 .3354 .0041 |
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Si42 .3503 .8406 .1812 .0040 |
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B31 .2256 .2706 .5019 .0059 |
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B32 .2261 .2652 -.0048 .77 .0047 |
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Al32 .2261 .2652 -.0048 .23 .0047 |
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B42 .2705 .2105 -.0071 .77 .0021 |
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Al42 .2705 .2105 -.0071 .23 .0021 |
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O1 .0278 .5437 .2690 .0093 |
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O2 .1579 .2009 -.1471 .0077 |
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O3 .1615 .2037 .5752 .0064 |
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O4 .6175 .2732 .2379 .0086 |
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O5 .6241 .2768 -.0391 .0088 |
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O6 .6330 .2875 .4762 .0063 |
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O7 .6434 .5626 .1768 .0058 |
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O8 .6403 .6034 -.0627 .0061 |
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O9 .3613 .7080 .2620 .0064 |
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O10 .3523 .4482 .3258 .0047 |
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O11 .1524 .1984 .0637 .0107 |
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O12 .1015 -.1238 .3714 .0078 |
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O13 .1580 .2014 .3662 .0081 |
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O14 .1525 -.0762 .1468 .0060 |
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O15 -.1479 .0815 .3609 .0054 |
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O16 -.0985 .1245 .1342 .0107 |
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O17 .3497 .4052 .5655 .0057 |
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O18 .5042 -.0061 .2692 .0106 |
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O19A .5905 -.0503 .0107 .25 .0108 |
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O19B .5167 .0003 .0050 .25 .0072 |
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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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Werdingite |
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Grew E S, Armbruster T, Lazic P, Yates M G, Medenbach O, Huijsmans J P P |
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European Journal of Mineralogy 23 (2011) 577-589 |
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Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: |
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The role of iron in a borosilicate with a mullite-type structure |
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Locality: Bok se Puts, Namaqualand, South Africa |
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_database_code_amcsd 0018636 |
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7.98539 8.15541 11.40210 110.4360 110.8720 84.6780 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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Al41 .66192 .16733 .08260 .783 .00929 .0104 .0125 .0071 .00284 .00437 .00502 |
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Fe41 .66192 .16733 .08260 .217 .00929 .0104 .0125 .0071 .00284 .00437 .00502 |
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Al61 0 0 0 .00683 .00883 .00622 .00482 .00109 .00219 .00153 |
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Al62 .00671 .00199 .25638 .00612 .00747 .00563 .00676 .00080 .00358 .00287 |
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Al63 0 0 .5 .00540 .00634 .00524 .00449 .00081 .00210 .00142 |
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Al64 .5 .5 0 .00655 .00831 .00681 .00474 -.00005 .00217 .00223 |
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Al65 .50456 .49514 .25061 .00575 .00649 .00622 .00538 .00046 .00273 .00233 |
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Al66 .5 .5 .5 .00536 .00593 .00557 .00439 .00054 .00159 .00175 |
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Al51 .15283 .31745 .74137 .00584 .00537 .00683 .00537 .00071 .00190 .00221 |
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Al52 .22941 .67772 .35219 .00560 .00501 .00627 .00580 .00086 .00198 .00242 |
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Mg5 .12025 .31542 .23506 .817 .0074 .013 .010 .008 -.0015 .0026 .0028 |
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Fe5 .12025 .31542 .23506 .183 .0074 .0068 .0019 .006 .0004 .0038 .0011 |
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Si41 .64956 .15545 .33546 .00552 .00545 .00545 .00565 .00072 .00196 .00195 |
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Si42 .35016 .84060 .18110 .00553 .00564 .00549 .00567 .00060 .00215 .00202 |
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B31 .22515 .26990 .50164 .00672 .0067 .0071 .0065 -.0005 .0024 .0021 |
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B32 .2260 .2646 -.00535 .790 .0067 .0065 .0087 .0048 -.0022 .0015 .0020 |
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Al42 .2707 .2100 -.00708 .0025 .210 |
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O1 .02702 .54357 .26885 .01035 .0063 .0102 .0131 .0001 .0024 .0032 |
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O2 .15864 .19994 -.14743 .00937 .0093 .0100 .0098 -.0019 .0026 .0046 |
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O3 .16194 .20289 .57573 .00791 .0091 .0089 .0064 -.0020 .0033 .0023 |
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O4 .61719 .27323 .23757 .00986 .0105 .0087 .0118 .0034 .0040 .0056 |
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O5 .62422 .27660 -.03869 .01022 .0107 .0100 .0096 .0034 .0051 .0020 |
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O6 .63271 .28717 .47623 .00777 .0088 .0080 .0058 .0026 .0022 .0022 |
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O7 .64337 .56281 .17692 .00755 .0063 .0113 .0056 -.0013 .0020 .0031 |
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O8 .64064 .60339 -.06241 .00812 .0102 .0077 .0063 -.0021 .0029 .0016 |
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O9 .36152 .70819 .26222 .00801 .0097 .0078 .0093 .0026 .0053 .0048 |
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O10 .35213 .44885 .32593 .00662 .0056 .0088 .0060 .0006 .0021 .0029 |
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O11 .15243 .19777 .06348 .01200 .0127 .0145 .0092 -.0022 .0026 .0049 |
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O12 .10159 -.12354 .37161 .00920 .0131 .0101 .0084 .0066 .0073 .0058 |
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O13 .15812 .20010 .36580 .00974 .0107 .0118 .0055 -.0028 .0018 .0017 |
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O14 .15216 -.07588 .14696 .00770 .0071 .0096 .0074 .0023 .0030 .0039 |
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O15 -.14790 .08200 .36108 .00738 .0070 .0092 .0073 .0031 .0033 .0043 |
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O16 -.10002 .12373 .13351 .01244 .0186 .0133 .0097 .0082 .0085 .0073 |
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O17 .34910 .40594 .56551 .00733 .0072 .0082 .0064 -.0022 .0019 .0021 |
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O18 .50411 -.00623 .26882 .01161 .0104 .0110 .0119 -.0037 .0024 .0027 |
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O19A .5895 -.0494 .0111 .210 .0090 .0181 .0118 .0111 -.0050 .0044 .0014 |
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O19B .5 0 0 .58 .0142 .010 .0053 .0095 -.0038 .0022 .0001 |
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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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Werdingite |
|
Grew E S, Armbruster T, Lazic P, Yates M G, Medenbach O, Huijsmans J P P |
| |
European Journal of Mineralogy 23 (2011) 577-589 |
|
Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: |
|
The role of iron in a borosilicate with a mullite-type structure |
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Locality: Almgjotheii, Norway |
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_database_code_amcsd 0018637 |
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7.9696 8.1559 11.3607 110.364 110.881 84.670 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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Al41 .65844 .16335 .08062 .748 .01067 .0110 .0161 .00738 .00315 .00426 .00647 |
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Fe41 .65844 .16335 .08062 .122 .01067 .0110 .0161 .00738 .00315 .00426 .00647 |
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Al5N .7677 .3220 .1482 .133 .0072 |
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Al61 0 0 0 .00745 .0079 .0093 .0049 .00095 .00166 .00283 |
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Al62 .00361 .00102 .25373 .00688 .00700 .00900 .00632 .00080 .00284 .00418 |
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Al63 0 0 .5 .00694 .0071 .0088 .0045 .00095 .00156 .00255 |
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Al64 .5 .5 0 .00796 .0089 .0105 .0045 -.00099 .00167 .00302 |
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Al65 .50290 .49593 .24965 .00703 .00736 .00926 .00573 -.00028 .00267 .00348 |
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Al66 .5 .5 .5 .00690 .0076 .0088 .0043 -.00019 .00150 .00278 |
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Al51 .14937 .31621 .74093 .964 .00977 .0141 .0099 .00647 -.00038 .00430 .00321 |
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Fe51 .14937 .31621 .74093 .036 .00977 .0141 .0099 .00647 -.00038 .00430 .00321 |
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Al52 .23029 .67877 .35245 .9064 .00744 .00606 .00967 .00677 .00041 .00177 .00350 |
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FeX .3394 .8366 .4191 .0936 .0202 |
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Mg5A .11859 .31697 .23438 .24 .00997 .01549 .00786 .00694 -.00179 .00411 .00218 |
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Fe5A .11859 .31697 .23438 .353 .00997 .01549 .00786 .00694 -.00179 .00411 .00218 |
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Al5A .11859 .31697 .23438 .407 .00997 .01549 .00786 .00694 -.00179 .00411 .00218 |
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Si41 .64944 .15600 .33268 .910 .00663 .00497 .00646 .00789 .00009 .00145 .00254 |
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B41 .64944 .15600 .33268 .090 .00663 .00497 .00646 .00789 .00009 .00145 .00254 |
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Si42 .34960 .84114 .17868 .910 .00640 .00495 .00689 .00719 .00012 .00130 .00298 |
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B42 .34960 .84114 .17868 .090 .00640 .00495 .00689 .00719 .00012 .00130 .00298 |
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B31 .2256 .2700 .50082 .944 .0079 .0067 .0105 .0060 -.0018 .0013 .0028 |
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Al31 .276 .204 .4950 .056 .032 |
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Al42 .2706 .2100 -.0061 .1569 .0084 |
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B32 .2264 .2665 -.00362 .8431 .0084 |
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O1 .02741 .5437 .26878 .867 .0122 .0062 .0158 .0132 -.0008 .0014 .0051 |
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O1A -.0307 .4581 .2357 .133 .0122 .0062 .0158 .0132 -.0008 .0014 .0051 |
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O2 .15811 .20142 -.14475 .01146 .0115 .0149 .0082 -.0032 .0017 .0052 |
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O3 .16138 .20233 .57434 .01012 .0098 .0130 .0078 -.0029 .0027 .0033 |
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O4 .62253 .27526 .23626 .01096 .0112 .0117 .0104 .0027 .0037 .0050 |
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O5 .62759 .27762 -.03540 .01157 .0126 .0134 .0106 .0044 .0055 .0056 |
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O6 .63272 .28700 .47385 .01060 .0110 .0125 .0096 .0044 .0039 .0058 |
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O7 .64286 .56404 .17684 .00827 .0068 .0132 .0054 -.0017 .0015 .0039 |
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O8 .64341 .60185 -.06246 .00924 .0110 .0107 .0060 -.0036 .0025 .0022 |
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O9 .36244 .71045 .26149 .00975 .0093 .0119 .0108 .0032 .0055 .0058 |
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O10 .35234 .44727 .32514 .00892 .0064 .0149 .0064 .0002 .0020 .0050 |
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O11 .15334 .19986 .06573 .01386 .0127 .0189 .0111 -.0046 .0021 .0072 |
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O12 .10065 -.12340 .37065 .01190 .0153 .0158 .0093 .0081 .0080 .0079 |
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O13 .15731 .20098 .36329 .01285 .0123 .0186 .0057 -.0041 .0016 .0022 |
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O14 .15106 -.07580 .14559 .00902 .0072 .0140 .0071 .0025 .0027 .0054 |
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O15 -.14832 .08051 .35956 .00875 .0077 .0127 .0074 .0024 .0030 .0053 |
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O16 -.10309 .12247 .13140 .0144 .0180 .0198 .0113 .0106 .0093 .0104 |
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O17 .34991 .40503 .56497 .00900 .0100 .0110 .0059 -.0034 .0019 .0027 |
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O18 .50229 -.00420 .26621 .0178 .0125 .0152 .0223 -.0039 .0019 .0055 |
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O19A .5927 -.0494 .0105 .1569 .0146 |
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O19B .5 0 0 .56 .0146 |
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O20 .5 0 .5 .0936 .029 |
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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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