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Leifite |
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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: Vesle Aroya, Langesundsfjord, Norway |
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_database_code_amcsd 0005040 |
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14.3446 14.3446 4.8455 90 90 120 P-3m1 |
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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 .7508 .2492 .2019 .01395 .014 .014 .013 .006 .0009 -.0009 |
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K1Na2 0 0 0 .4600 .00953 .013 .013 .003 .006 0 0 |
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Na2O6 0 0 .5 .2000 .030 .013 .013 .003 .006 0 0 |
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Si1A 0 .21634 .5 .5567 .01242 .009 .0058 .0137 -.0032 -.0015 -.0008 |
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Al1B 0 .21634 .5 .4433 .01242 .009 .0058 .0137 -.0032 -.0015 -.0008 |
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Si2 0 .34374 0 .01243 .011 .0108 .0154 .0056 -.0002 -.0001 |
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Si3 .44746 .55254 .30616 .00777 .0083 .0083 .0079 .0051 -.0000 .0000 |
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Be1 1/3 2/3 .3685 .01543 .020 .020 .006 .0100 0 0 |
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O1 .10022 .89978 .3903 .02148 .018 .018 .012 -.004 -.0009 .0009 |
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O2 .30901 .26112 .2495 .01413 .017 .008 .017 .0055 .0067 .0044 |
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O3 .35849 .45743 .1026 .00813 .009 .009 .012 .009 .0010 -.0016 |
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O4 .5 0 .5 .01099 .014 .013 .006 .007 .0024 .005 |
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O5 .39389 .60612 .4835 .00718 .008 .008 .007 .005 .0022 -.0022 |
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F 1/3 2/3 .0397 .01015 .012 .012 .008 .0057 0 0 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Leifite |
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Sokolova E V, Huminicki D M C, Hawthorne F C, Agakhanov A A, Pautov L A, Grew E S |
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The Canadian Mineralogist 40 (2002) 183-192 |
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The crystal chemistry of telyushenkoite and leifite, A Na6[Be2Al3Si15O39F2], |
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A = Cs, Na |
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_database_code_amcsd 0005762 |
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14.3608 14.3608 4.8570 90 90 120 P-3m1 |
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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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SiT1 0 .21681 1/2 .64 .0137 .0141 .0145 .0123 .0070 -.0020 -.0010 |
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AlT1 0 .21681 1/2 .33 .0137 .0141 .0145 .0123 .0070 -.0020 -.0010 |
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ZnT1 0 .21681 1/2 .03 .0137 .0141 .0145 .0123 .0070 -.0020 -.0010 |
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SiT2 0 .34443 0 .0113 .0120 .0113 .0108 .0060 -.0003 -.0002 |
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SiT3 .44762 -.44762 .3059 .0075 .0093 .0093 .0062 .0062 -.0001 .0001 |
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BeT4 1/3 2/3 .366 .0091 .0091 .0091 .0092 .0045 0 0 |
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Na .75042 -.75042 .2033 .0214 .0212 .0212 .0165 .0066 .0030 -.0031 |
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CsA 0 0 0 .05 .0444 .0495 .0495 .0343 .0247 0 0 |
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RbA 0 0 0 .11 .0444 .0495 .0495 .0343 .0247 0 0 |
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KA 0 0 0 .10 .0444 .0495 .0495 .0343 .0247 0 0 |
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NaA 0 0 0 .57 .0444 .0495 .0495 .0343 .0247 0 0 |
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WatB 0 0 1/2 .63 .0297 .0119 .0119 .0653 .0060 0 0 |
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O1 .1008 -.1008 .3946 .0325 .0328 .0328 .0190 .0067 -.0063 .0063 |
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O2 .3078 .2614 .2486 .0178 .0201 .0156 .0181 .0094 .0080 .0068 |
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O3 .3595 .4585 .1035 .0124 .0138 .0111 .0132 .0069 -.0042 -.0033 |
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O4 1/2 0 1/2 .0133 .0165 .0092 .0116 .0046 -.0017 -.0034 |
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O5 .39431 -.39431 .4821 .0105 .0137 .0137 .0084 .0099 .0006 -.0005 |
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F 1/3 2/3 .0421 .0136 .0167 .0167 .0073 .0084 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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