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Serendibite |
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Van Derveer D G, Swihart G H, Sen Gupta P K, Grew E S |
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American Mineralogist 78 (1993) 195-203 |
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Cation occupancies in serendibite: A crystal structure study |
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Sample from Johnsburg, New York |
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Displacement parameters obtained from ICSD |
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_database_code_amcsd 0001546 |
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10.010 10.393 8.631 106.37 96.10 124.38 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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B1 .4651 .2357 .3304 .652 .0097 .0081 .0061 .0066 .0023 .0028 |
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Si1 .4651 .2357 .3304 .348 .0097 .0081 .0061 .0066 .0023 .0028 |
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Si2 .98393 .22828 .34086 .0069 .0070 .0062 .0042 .0018 .0029 |
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Al3 .78569 .34446 .23325 .0063 .0055 .0055 .0037 .0021 .0027 |
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B4 .2688 .3290 .2197 .980 .0058 .0065 .0076 .0027 .0020 .0038 |
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Si4 .2688 .3290 .2197 .020 .0058 .0065 .0076 .0027 .0020 .0038 |
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Si5 .64333 .94317 .44362 .0077 .0075 .0079 .0048 .0027 .0019 |
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Si6 .35610 .55441 .05422 .0065 .0060 .0056 .0040 .0022 .0022 |
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Al1 0 0 .5 .0063 .0058 .0050 .0041 .0018 .0021 |
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Al2 0 .5 0 .0059 .0054 .0054 .0035 .0021 .0019 |
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Al3 .31197 .85596 .17246 .0063 .0081 .0063 .0048 .0025 .0032 |
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Al4 .77752 .82192 .14551 .0079 .0088 .0083 .0055 .0033 .0041 |
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Mg5 .09481 .94392 .06251 .0042 .0061 .0055 .0037 .0028 .0042 |
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Mg6 .59383 .93901 .05623 .0044 .0066 .0076 .0037 .0027 .0044 |
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Al7 .99816 .74020 .25928 .0066 .0056 .0060 .0040 .0025 .0025 |
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Ca8 .21564 .62437 .39800 .775 .0100 .0097 .0085 .0067 .0040 .0045 |
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Na8 .21564 .62437 .39800 .225 .0100 .0097 .0085 .0067 .0040 .0045 |
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Ca9 .64732 .60051 .38263 .823 .0062 .0105 .0107 .0040 .0029 .0052 |
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Na9 .64732 .60051 .38263 .177 .0062 .0105 .0107 .0040 .0029 .0052 |
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O1 .3531 .0647 .1736 .0099 .0106 .0109 .0070 .0027 .0039 |
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O2 .8448 .0496 .1682 .0105 .0100 .0074 .0071 .0028 .0035 |
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O3 .5409 .9530 .2890 .0130 .0116 .0129 .0071 .0045 .0017 |
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O4 .0143 .9336 .2775 .0080 .0077 .0070 .0044 .0033 .0029 |
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O5 .2409 .8684 .3818 .0094 .0094 .0092 .0056 .0013 .0026 |
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O6 .7623 .8819 .3830 .0072 .0091 .0105 .0048 .0024 .0040 |
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O7 .4899 .2096 .4948 .0128 .0106 .0131 .0064 .0077 .0063 |
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O8 .9573 .7881 .4825 .0080 .0081 .0091 .0049 .0023 .0041 |
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O9 .9004 .3259 .3802 .0154 .0101 .0089 .0093 .0033 .0040 |
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O10 .3839 .3254 .3450 .0097 .0097 .0100 .0050 .0015 .0044 |
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O11 .6516 .1633 .0462 .0087 .0098 .0123 .0058 .0040 .0046 |
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O12 .1610 .1760 .0618 .0085 .0082 .0085 .0051 .0001 .0015 |
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O13 .5362 .7101 .0488 .0127 .0097 .0108 .0074 .0052 .0038 |
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O14 .0686 .7260 .0646 .0094 .0081 .0076 .0054 .0034 .0035 |
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O15 .2407 .6156 .1168 .0085 .0107 .0089 .0069 .0031 .0037 |
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O16 .7533 .6129 .1350 .0089 .0100 .0075 .0050 .0023 .0009 |
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O17 .3893 .4867 .1931 .0103 .0084 .0088 .0058 .0043 .0051 |
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O18 .9520 .5259 .2158 .0110 .0106 .0088 .0067 .0029 .0043 |
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O19 .1655 .3586 .3125 .0101 .0100 .0118 .0053 .0067 .0039 |
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O20 .6558 .3680 .3333 .0198 .0184 .0099 .0148 .0064 .0052 |
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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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Serendibite |
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Grice J D, Belley P M, Fayek M |
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The Canadian Mineralogist 52 (2014) 1-14 |
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Serendibite, a complex chemical borosilicate mineral from Pontiac, Quebec: |
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Description, chemical composition, and crystallographic data |
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Locality: Portage-du-Fort area, Pontiac Regional County Municipality, Quebec, Canada |
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_database_code_amcsd 0020622 |
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10.022 10.406 8.643 106.41 95.992 124.38 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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Ca8 .21478 .62399 .39756 .9457 .01022 .01225 .01154 .00972 .00824 .00485 .00551 |
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Na8 .21478 .62399 .39756 .0542 .01022 .01225 .01154 .00972 .00824 .00485 .00551 |
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Ca9 .64807 .60219 .38291 .9526 .01147 .00732 .01222 .01256 .00444 .00317 .00626 |
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Na9 .64807 .60219 .38291 .0474 .01147 .00732 .01222 .01256 .00444 .00317 .00626 |
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Al1 0 0 .5 .935 .00617 .00644 .00646 .0054 .00410 .00160 .00224 |
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Mg1 0 0 .5 .065 .00617 .00644 .00646 .0054 .00410 .00160 .00224 |
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Al2 0 .5 0 .843 .00615 .00621 .00596 .0060 .00368 .00233 .00226 |
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Mg2 0 .5 0 .157 .00615 .00621 .00596 .0060 .00368 .00233 .00226 |
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Al3 .31186 .85618 .17249 .714 .00729 .00644 .00921 .00718 .00513 .00278 .00380 |
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Mg3 .31186 .85618 .17249 .286 .00729 .00644 .00921 .00718 .00513 .00278 .00380 |
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Al4 .77825 .82278 .14588 .643 .00791 .00765 .00875 .00810 .00533 .00306 .00375 |
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Mg4 .77825 .82278 .14588 .357 .00791 .00765 .00875 .00810 .00533 .00306 .00375 |
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Mg5 .09510 .94408 .06183 .00527 .00494 .00678 .00627 .00400 .00289 .00414 |
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Mg6 .59376 .93924 .05705 .849 .00585 .00438 .00672 .00762 .00346 .00243 .00423 |
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Al6 .59376 .93924 .05705 .151 .00585 .00438 .00672 .00762 .00346 .00243 .00423 |
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Al7 .99861 .74106 .25869 .870 .00635 .00683 .00612 .00609 .00411 .00222 .00234 |
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Mg7 .99861 .74106 .25869 .130 .00635 .00683 .00612 .00609 .00411 .00222 .00234 |
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Si2 .98328 .22742 .34099 .840 .00748 .00743 .00740 .00692 .00432 .00187 .00300 |
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AlSi2 .98328 .22742 .34099 .160 .00748 .00743 .00740 .00692 .00432 .00187 .00300 |
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B1 .46493 .23511 .32967 .622 .00789 .0092 .0075 .00727 .00551 .0024 .0028 |
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Si1 .46493 .23511 .32967 .378 .00789 .0092 .0075 .00727 .00551 .0024 .0028 |
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Al3 .78548 .34413 .23250 .738 .00623 .00648 .00599 .00577 .00369 .00151 .00254 |
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Si3 .78548 .34413 .23250 .262 .00623 .00648 .00599 .00577 .00369 .00151 .00254 |
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B4 .26955 .33018 .21973 .976 .0076 .0078 .0070 .0060 .0034 .0021 .0033 |
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Si4 .26955 .33018 .21973 .024 .0076 .0078 .0070 .0060 .0034 .0021 .0033 |
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Al5 .64358 .94376 .44299 .508 .00949 .00842 .00860 .00942 .00507 .00282 .00189 |
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Si5 .64358 .94376 .44299 .492 .00949 .00842 .00860 .00942 .00507 .00282 .00189 |
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Si6 .35643 .55472 .05380 .831 .00682 .00695 .00678 .00629 .00423 .00227 .00226 |
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Al6 .35643 .55472 .05380 .169 .00682 .00695 .00678 .00629 .00423 .00227 .00226 |
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O1 .35267 .06425 .17242 .0109 .0105 .0116 .0107 .0076 .0027 .0034 |
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O2 .84330 .04817 .16745 .0096 .0107 .0108 .0079 .0072 .0034 .0036 |
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O3 .54009 .95434 .28672 .0151 .0127 .0125 .0148 .0068 .0054 .0015 |
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O4 .01507 .93475 .27690 .0084 .0087 .0079 .0075 .0046 .0035 .0028 |
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O5 .24008 .86637 .38013 .0101 .0097 .0092 .0096 .0053 .0016 .0033 |
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O6 .76330 .88112 .38216 .0095 .0077 .0086 .0110 .0047 .0021 .0041 |
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O7 .49056 .21044 .49464 .0131 .0131 .0116 .0138 .0063 .0079 .0062 |
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O8 .95735 .78823 .48137 .0089 .0085 .0078 .0103 .0049 .0028 .0041 |
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O9 .90003 .32666 .38039 .0110 .0146 .0117 .0089 .0094 .0036 .0043 |
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O10 .38423 .32646 .34502 .0108 .0100 .0110 .0092 .0057 .0014 .0044 |
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O11 .65067 .16270 .04627 .0106 .0091 .0108 .0117 .0062 .0037 .0041 |
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O12 .16086 .17655 .06163 .0093 .0087 .0078 .0082 .0049 .00008 .00102 |
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O13 .53770 .71128 .04842 .0118 .0136 .0114 .0112 .0083 .0048 .0040 |
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O14 .06852 .72596 .06336 .0085 .0095 .0085 .0078 .0057 .0027 .0035 |
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O15 .24043 .61578 .11701 .0092 .00880 .0107 .0083 .0063 .0030 .0037 |
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O16 .75362 .61410 .13551 .0105 .00837 .0100 .0081 .0041 .0026 .0018 |
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O17 .39002 .48764 .19354 .0092 .0099 .0082 .0097 .0052 .0033 .0048 |
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O18 .95140 .52591 .21501 .0099 .0105 .0106 .0090 .0065 .0029 .0045 |
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O19 .16629 .35950 .31304 .0115 .0114 .0098 .0121 .0057 .0069 .0040 |
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O20 .65566 .36844 .33290 .0136 .0179 .0172 .0104 .0136 .0055 .0048 |
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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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