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Pezzottaite |
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Gatta D G, Adamo I, Meven M, Lambruschi E |
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Physics and Chemistry of Minerals 39 (2012) 829-840 |
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A single-crystal neutron and X-ray diffraction of pezzottaite |
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Note: X-ray data, T = 298 K |
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Locality: Sakavalana pegmatite, Ambatovita, Madagascar |
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_database_code_amcsd 0020677 |
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15.9615 15.9615 27.8568 90 90 120 R-3c |
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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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Cs1 0 0 -.08208 .694 .0223 .0239 .0239 .0190 .0120 0 0 |
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Cs2 0 0 .25 .764 .0294 .0338 .0338 .0209 .0169 0 0 |
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Na1 0 0 0 .198 .003 |
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Na2 0 0 -.1625 .083 .003 |
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Be .33791 .17045 .08404 .0083 .009 .009 .008 .005 .001 -.001 |
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Li .5031 .5031 .75 .0074 .006 .006 .006 .001 .001 .001 |
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Al1 2/3 .00046 1/12 .0053 .0050 .0057 .0048 .0025 .0001 .0001 |
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Al2 -.00541 1/3 1/12 .0047 .0053 .0037 .0046 .0019 .0001 .0001 |
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Si1 .04509 .21954 -.00098 .0045 .0042 .0037 .0052 .0018 .0004 .0001 |
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Si2 .21989 .05039 .16545 .0040 .0032 .0035 .0048 .0013 -.0002 .0001 |
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Si3 .04999 -.17009 .16639 .0042 .0040 .0042 .0048 .0022 -.0006 -.0003 |
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O1 .27627 .06425 .21526 .0104 .0118 .0101 .0072 .0040 -.0035 .0012 |
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O2 .07013 .28069 -.05060 .0101 .0093 .0097 .0095 .0035 -.0005 .0039 |
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O3 .06050 -.22828 .12297 .0148 .0174 .0199 .0121 .0132 -.0049 -.0093 |
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O4 .28879 .07412 .11922 .0094 .0104 .0093 .0083 .0047 .0045 .0006 |
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O5 .05203 .28245 .04471 .0134 .0167 .0083 .0116 .0035 .0052 -.0027 |
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O6 .06834 -.20446 .21767 .0100 .0059 .0134 .0089 .0036 .0010 .0049 |
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O7 -.05907 .12006 -.00504 .0116 .0064 .0077 .0192 .0025 .0012 -.0002 |
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O8 -.05343 -.17373 .16592 .0112 .0060 .0112 .0173 .0049 -.0007 .0015 |
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O9 .12653 -.05597 .16037 .0124 .0076 .0054 .0213 .0011 -.0009 .0015 |
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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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Pezzottaite |
| |
Gatta D G, Adamo I, Meven M, Lambruschi E |
| |
Physics and Chemistry of Minerals 39 (2012) 829-840 |
|
A single-crystal neutron and X-ray diffraction of pezzottaite |
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Note: Neutron data, T = 2.3 K |
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Locality: Sakavalana pegmatite, Ambatovita, Madagascar |
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_database_code_amcsd 0020678 |
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15.95 15.95 27.86 90 90 120 R-3c |
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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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Cs1 0 0 -.0820 .95 .0077 .0076 .0076 .008 .0038 0 0 |
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Cs2 0 0 .25 .98 .0103 .011 .011 .0092 .0054 0 0 |
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Na1 0 0 0 .19 .006 |
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Na2 0 0 -.1612 .12 .006 |
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Be1 .3383 .1706 .08428 .965 .0038 |
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Li1 .3383 .1706 .08428 .035 .0038 |
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Li2 .50362 .50362 .75 .852 .0038 |
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Be2 .50362 .50362 .75 .148 .0038 |
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Al1 2/3 .0001 1/12 .0018 |
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Al2 -.0073 1/3 1/12 .0018 |
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Si1 .0452 .2198 -.0008 .0016 |
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Si2 .2192 .0502 .1647 .0015 |
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Si3 .0503 -.1704 .1667 .0019 |
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O1 .2763 .0643 .21556 .0016 |
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O2 .0707 .2803 -.05097 .0017 |
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O3 .0608 -.2301 .12359 .0056 |
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O4 .2912 .0761 .11939 .0042 |
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O5 .0493 .2826 .04384 .0045 |
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O6 .0686 -.2023 .21810 .0038 |
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O7 -.0591 .1197 -.00610 .0053 |
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O8 -.0533 -.1730 .16554 .0036 |
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O9 .1275 -.0557 .15937 .0044 |
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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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Pezzottaite |
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Yakubivich O V, Pekov I V, Steele I M, Massa W, Chukanov N V |
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Crystallography Reports 54 (2009) 399-412 |
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Alkali metals in beryl and their role in the formation of derivative structural motifs: |
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Comparative crystal chemistry of vorobyevite and pezzottaite |
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Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar |
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Note: T = 100 K |
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_database_code_amcsd 0012413 |
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15.955 15.955 27.810 90 90 120 R-3c |
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atom x y z occ Uiso |
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Cs1 0 0 .08211 .725 .0109 |
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Cs2 0 0 .25 .799 .0147 |
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Na1 0 0 0 .275 .016 |
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Na2 0 0 .1642 .201 .054 |
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Al1 2/3 .00060 1/12 .0051 |
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Al2 -.00537 1/3 1/12 .0048 |
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Be .3379 .1704 .08405 .0092 |
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Li .5029 .5029 .75 |
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Si1 .04514 .21958 -.00087 .0047 |
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Si2 .21996 .05024 .16537 .0043 |
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Si3 .04988 -.17024 .16640 .0043 |
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O1 .2763 .0641 .21529 .0093 |
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O2 .0700 .2807 -.05057 .0094 |
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O3 .0606 -.2284 .12294 .0132 |
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O4 .2888 .0738 .11915 .0088 |
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O5 .0522 .2824 .04492 .0127 |
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O6 .0680 -.2048 .21771 .0097 |
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O7 -.0587 .1201 -.00490 .0104 |
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O8 -.0534 -.1736 .16590 .0093 |
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O9 .1265 -.0561 .16022 .0112 |
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Wat10 -.038 -.038 .25 .071 .10 |
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Wat11 .026 .003 .084 .107 .099 |
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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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