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Nabesite |
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Armstrong J A, Friis H, Lieb A, Finch A A, Weller M T |
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American Mineralogist 95 (2010) 519-526 |
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Combined single-crystal X-ray and neutron powder diffraction structure analysis |
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exemplified through full structure determinations of |
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framework and layer beryllate minerals |
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Locality: Kvanefjeld, Ilimaussaq alkaline complex, South Greenland |
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_database_code_amcsd 0005041 |
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9.7128 10.1352 11.8919 90 90 90 P2_12_12_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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Na1 .02305 .19135 .81969 .0124 .0102 .0127 .0144 .0019 -.0014 -.0038 |
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Na2 .36397 .25068 .74081 .01603 .0176 .0124 .0180 .0005 -.0016 .0009 |
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Be1 .2419 .2631 .25732 .00681 .0061 .0074 .0070 .0010 -.0018 .0005 |
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Si1 .07752 .35377 .06705 .00566 .0055 .0049 .0066 .00038 -.0005 .0004 |
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Si2 .40206 .36422 .44736 .00574 .0058 .0047 .0067 -.00062 -.00018 -.0004 |
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Si3 .28527 .14862 .03361 .00577 .0056 .0049 .0067 .00025 -.0001 -.00018 |
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Si4 .20469 .14805 .48034 .00574 .0057 .0048 .0067 -.00071 -.0002 .00014 |
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O1 .11450 .34306 .19655 .00713 .0069 .0066 .0079 .0014 -.0012 -.0004 |
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O2 .11804 .49547 .01178 .00873 .0110 .0059 .0093 .0001 -.0001 .0008 |
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O3 -.08718 .33002 .05361 .00797 .0071 .0090 .0079 -.0001 .0000 .0008 |
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O4 .15832 .24267 -.00831 .00693 .0080 .0060 .0068 .0003 -.0005 -.0002 |
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O5 .34677 .36601 .32177 .00707 .0077 .0051 .0084 -.0009 -.0010 .0001 |
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O6 .56498 .32750 .44779 .00871 .0072 .0104 .0086 .0002 -.0002 -.0018 |
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O7 .31877 .25543 .52376 .00667 .0078 .0055 .0067 .0001 -.0001 -.0003 |
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O8 .32601 .18187 .15891 .00755 .0071 .0073 .0082 .0012 -.0006 -.0000 |
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O9 .23591 -.00391 .01777 .00805 .0082 .0067 .0093 -.0005 .0011 -.0005 |
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O10 .18103 .15696 .34853 .0084 .0090 .0077 .0085 -.0018 -.0014 .0003 |
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Ow1 .21315 .07221 .76340 .931 .00648 .0110 .0039 .0045 .0035 -.0027 -.0008 |
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Ow2 .15355 .37184 .74025 .953 .00968 .0149 .0065 .0077 .0006 -.0021 -.0016 |
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Ow3 -.06814 .02190 .95231 .951 .013 .0136 .0127 .0127 -.0032 -.0024 .0007 |
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Ow4 .47553 .43982 .80646 .931 .00976 .0109 .0074 .0110 .0025 .0002 .0059 |
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H1 .250 .003 .807 .931 .055 |
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H2 .181 .030 .6983 .931 .076 |
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H3 .158 .4514 .781 .953 .055 |
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H4 .099 .384 .6757 .953 .092 |
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H5 -.1577 .021 -.018 .951 .079 |
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H6 -.015 .018 1.018 .951 .116 |
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H7 .442 .5172 .7727 .931 .025 |
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H8 .5524 .426 .7601 .931 .051 |
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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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Nabesite |
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Petersen O V, Giester G, Brandstatter F, Niedermayr G |
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The Canadian Mineralogist 40 (2002) 173-181 |
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Nabesite, Na2BeSi4O10.4H2O, a new mineral species from the Ilimaussaq alkaline |
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complex, South Greenland |
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Sample: T = 293 K |
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Locality: Ilimaussaq alkaline complex, South Greenland |
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_database_code_amcsd 0005760 |
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9.748 10.133 11.954 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .02823 .19660 .81506 .02878 .0224 .0304 .0335 -.0083 -.0043 .0052 |
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Na2 .37372 .25369 .73922 .0447 .0554 .0330 .0456 .0029 -.0111 .0044 |
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Be .24232 .26224 .25678 .0084 .0104 .0078 .0070 .0003 -.0025 -.0009 |
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Si1 .08393 .35478 .06419 .00750 .00767 .00662 .00820 .00026 -.00143 .00092 |
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Si2 .39961 .36283 .44722 .00765 .00782 .00677 .00835 -.00044 -.00094 -.00128 |
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Si3 .29128 .14866 .03408 .00839 .00822 .00770 .00926 -.00077 .00010 .00122 |
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Si4 .20023 .14856 .47842 .00781 .00819 .00702 .00821 .00068 -.00033 -.00160 |
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O1 .11930 .34407 .19374 .01217 .0143 .0137 .0085 -.0007 -.0033 .0047 |
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O2 .12092 .49694 .01041 .01716 .0232 .0085 .0198 .0054 .0002 -.0008 |
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O3 -.07946 .32732 .04934 .01433 .0082 .0194 .0153 .0012 -.0033 .0002 |
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O4 .16731 .24433 -.00928 .01126 .0130 .0110 .0098 -.0017 -.0020 .0056 |
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O5 .34741 .36353 .32118 .01214 .0147 .0123 .0094 .0009 -.0039 -.0040 |
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O6 .56197 .32609 .44915 .01601 .0076 .0219 .0185 -.0028 -.0024 .0012 |
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O7 .31580 .25353 .52237 .01135 .0133 .0102 .0105 .0011 -.0013 -.0054 |
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O8 .32791 .17820 .16101 .01294 .0143 .0156 .0089 -.0030 -.0028 .0043 |
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O9 .24094 -.00340 .01423 .01378 .0161 .0064 .0189 -.0025 .0021 .0000 |
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O10 .17608 .15933 .34733 .01483 .0207 .0153 .0085 .0024 -.0033 -.0078 |
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OW1 .22056 .07549 .76168 .0277 .0474 .0182 .0176 -.0026 -.0078 .0091 |
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OW2 .16099 .37520 .73814 .0316 .0475 .0203 .0270 -.0036 -.0055 .0033 |
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OW3 -.05881 .02080 .94934 .0379 .0354 .0387 .0396 -.0047 -.0076 -.0034 |
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OW4 .47439 .44438 .80888 .0394 .0399 .0361 .0421 .0176 -.0003 .0086 |
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H1 .249 .009 .807 .066 |
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H2 .209 .049 .689 .067 |
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H3 .171 .442 .759 .045 |
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H4 .095 .383 .699 .059 |
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H5 -.077 .029 .0225 .047 |
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H6 .034 .011 .959 .102 |
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H7 .446 .527 .788 .074 |
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H8 .554 .404 .765 .075 |
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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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