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Vinogradovite |
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Kalsbeek N, Ronsbo J G |
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Zeitschrift fur Kristallographie 200 (1992) 237-245 |
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Refinement of the vinogradovite structure, positioning of Be and excess Na |
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Locality: Ilimaussaq, Southern Greenland |
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Note: T = 110 K |
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_database_code_amcsd 0011018 |
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24.490 8.657 5.203 90 100.15 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .34962 .40362 .21244 .93 .00016 .00118 .00361 .00001 .00003 .00018 |
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Nb .34962 .40362 .21244 .07 .00016 .00118 .00361 .00001 .00003 .00018 |
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Si1 .76688 .40830 .72484 .00016 .00103 .00228 .00002 .00003 .00000 |
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Si2 .43553 .89961 .7248 .75 .00019 .00123 .00428 -.00002 .00004 -.00005 |
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Al2 .43553 .89961 .7248 .15 .00019 .00123 .00428 -.00002 .00004 -.00005 |
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Be2 .43553 .89961 .7248 .1 .00019 .00123 .00428 -.00002 .00004 -.00005 |
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Na1 .64896 .1890 .7956 .00049 .00270 .00629 .00029 -.00008 .00062 |
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O1 .5 .8430 .75 .00026 .00246 .01181 0 .00026 0 |
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O2 .42101 .9610 .0046 .00033 .00273 .00915 -.00008 .00048 -.00107 |
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O3 .79185 .5119 .9839 .00020 .00163 .00324 .00002 .00002 -.00056 |
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O4 .61523 .5683 .4519 .00019 .00180 .00324 .00008 -.00002 -.00022 |
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O5 .79233 .2392 .7824 .00022 .00136 .00448 .00015 .00004 .00022 |
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O6 .69991 .4180 .6661 .00016 .00146 .00295 -.00002 -.00006 -.00016 |
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O7 .39548 .7510 .6234 .00030 .00196 .00552 -.00014 .00014 .00016 |
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Wat1 0 .1413 .25 .370 1.8 |
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Wat2 .0078 .914 .642 .534 .00142 .04069 .03621 -.00323 .00162 -.01127 |
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Na2 .4644 .4014 .963 .27 2.5 |
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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
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|
Vinogradovite |
|
Kalsbeek N, Ronsbo J G |
|
Zeitschrift fur Kristallographie 200 (1992) 237-245 |
|
Refinement of the vinogradovite structure, positioning of Be and excess Na |
|
Locality: Ilimaussaq, Southern Greenland |
|
Note: T = 295 K |
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_database_code_amcsd 0011019 |
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24.50 8.662 5.211 90 100.13 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .34958 .40339 .21224 .93 .00025 .00172 .00447 .00002 .00015 .00024 |
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Nb .34958 .40339 .21224 .07 .00025 .00172 .00447 .00002 .00015 .00024 |
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Si1 .76689 .40836 .7250 .00024 .00156 .00323 .00004 .00014 .00000 |
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Si2 .43556 .89957 .7228 .75 .00028 .00193 .00579 -.00006 .00022 -.00016 |
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Al2 .43556 .89957 .7228 .15 .00028 .00193 .00579 -.00006 .00022 -.00016 |
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Be2 .43556 .89957 .7228 .1 .00028 .00193 .00579 -.00006 .00022 -.00016 |
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Na1 .64873 .1887 .7952 .00088 .00453 .00893 .00031 -.00026 .00090 |
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O1 .5 .8441 .75 .00037 .00393 .01748 0 .00046 0 |
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O2 .42093 .9631 .0002 .00057 .00396 .01235 -.00018 .00086 -.00241 |
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O3 .79183 .5111 .9850 .00030 .00283 .00475 .00001 .00022 -.00112 |
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O4 .61535 .5679 .4532 .00030 .00273 .00475 .00016 .00008 -.00039 |
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O5 .79248 .2396 .7808 .00037 .00199 .00646 .00029 .00022 .00033 |
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O6 .70004 .4181 .6660 .00023 .00223 .00475 .00002 -.00006 -.00039 |
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O7 .39563 .7507 .6247 .00043 .00306 .00826 -.00031 .00036 -.00005 |
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Wat1 0 .141 .25 .348 2.5 |
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Wat2 .0076 .910 .646 .549 .00154 .04498 .04560 -.00311 .00181 -.00731 |
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Na2 .4655 .4005 .973 .27 3.5 |
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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
|
| |
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