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Arrojadite-(KNa) |
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Steele I M |
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General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
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Arrojadite: variations in space group and composition |
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based on four new refinements |
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Sample: arropala |
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Locality: Palermo No. 1 mine, Groton, New Hampshire, USA |
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_database_code_amcsd 0012658 |
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16.531 10.0040 24.644 90.00 105.943 90.00 Cc |
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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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Al .26167 .99887 .20654 .0049 .0055 .0028 .0064 -.0003 .0018 .0002 |
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Sr .48669 .71368 .18636 .23 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
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Ca .48669 .71368 .18636 .23 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
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Fe .48669 .71368 .18636 .54 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
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Ba .75613 .50461 -.04781 .06 .0197 .0120 .0287 .0214 .0037 .0094 .0033 |
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K1A .75613 .50461 -.04781 .51 .0197 .0120 .0287 .0214 .0037 .0094 .0033 |
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K1B .7605 .6446 -.0441 .17 .0082 |
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Na1 .2804 .6832 -.01886 .589 .0187 .015 .024 .017 .0137 .0051 .0110 |
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Na2A .1345 .0118 .08591 .945 .0247 .045 .0062 .0123 -.0048 -.0099 .0019 |
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Na2B .87846 .4893 .32899 .947 .0098 .0155 .0041 .0074 -.0018 -.0010 .0000 |
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Na3A .2614 .5023 .20652 .998 .0115 .0150 .0058 .0112 -.0018 -.0009 -.0008 |
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Na3B .55256 .0539 .25049 .980 .0116 .0099 .0129 .0097 -.0021 -.0014 -.0022 |
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Fe1 .98516 .88337 .18470 .96 .0075 .0073 .0060 .0096 -.0015 .0027 -.0032 |
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Mg1 .98516 .88337 .18470 .04 .0075 .0073 .0060 .0096 -.0015 .0027 -.0032 |
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Fe2A .04671 .51112 -.06381 .98 .0096 .0141 .0067 .0069 -.0019 .0010 -.0015 |
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Mg2A .04671 .51112 -.06381 .02 .0096 .0141 .0067 .0069 -.0019 .0010 -.0015 |
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Fe2B .47272 .50570 -.02527 .91 .0067 .0081 .0056 .0054 -.0005 -.0001 -.0005 |
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Mg2B .47272 .50570 -.02527 .09 .0067 .0081 .0056 .0054 -.0005 -.0001 -.0005 |
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Fe3A .37110 .51504 -.15429 .52 .0055 .0070 .0039 .0053 .0001 .0012 -.0006 |
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Mg3A .37110 .51504 -.15429 .48 .0055 .0070 .0039 .0053 .0001 .0012 -.0006 |
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Fe3B .15387 .51177 .06580 .56 .0049 .0060 .0028 .0050 .0008 .0001 .0009 |
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Mg3B .15387 .51177 .06580 .44 .0049 .0060 .0028 .0050 .0008 .0001 .0009 |
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Fe4A .23606 .74611 -.19800 .82 .0047 .0063 .0028 .0047 .0013 .0008 .0002 |
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Mg4A .23606 .74611 -.19800 .18 .0047 .0063 .0028 .0047 .0013 .0008 .0002 |
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Fe4B .27880 .74836 .10850 .84 .0060 .0058 .0040 .0074 .0003 .0007 -.0005 |
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Mg4B .27880 .74836 .10850 .16 .0060 .0058 .0040 .0074 .0003 .0007 -.0005 |
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Fe5A .22744 .75219 .30433 .99 .0051 .0059 .0040 .0050 .0000 .0007 -.0010 |
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Mg5A .22744 .75219 .30433 .01 .0051 .0059 .0040 .0050 .0000 .0007 -.0010 |
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Fe5B .79347 .74065 .10695 .99 .0058 .0064 .0046 .0060 -.0002 .0009 .0006 |
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Mg5B .79347 .74065 .10695 .01 .0058 .0064 .0046 .0060 -.0002 .0009 .0006 |
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Fe6A .05591 .80261 .35348 .90 .0079 .0093 .0084 .0055 -.0009 .0014 .0004 |
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Mg6A .05591 .80261 .35348 .10 .0079 .0093 .0084 .0055 -.0009 .0014 .0004 |
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Fe6B .96393 .69474 .05822 .93 .0066 .0085 .0059 .0052 .0004 .0015 .0002 |
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Mg6B .96393 .69474 .05822 .07 .0066 .0085 .0059 .0052 .0004 .0015 .0002 |
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Fe7A .48162 .79830 .04887 .89 .0066 .0085 .0071 .0040 .0027 .0010 -.0007 |
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Mg7A .48162 .79830 .04887 .11 .0066 .0085 .0071 .0040 .0027 .0010 -.0007 |
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Fe7B .04223 .78902 -.13981 .86 .0064 .0078 .0062 .0048 -.0014 .0011 .0008 |
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Mg7B .04223 .78902 -.13981 .14 .0064 .0078 .0062 .0048 -.0014 .0011 .0008 |
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P1A .87477 .00588 .07462 .0052 .0072 .0035 .0052 -.0001 .0018 -.0005 |
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P1B .18060 .49527 -.12937 .0067 .0095 .0044 .0069 -.0015 .0035 -.0005 |
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P2A .39013 .95864 .13120 .0053 .0073 .0033 .0053 .0000 .0016 .0004 |
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P2B .13162 .96699 -.21767 .0049 .0061 .0035 .0045 -.0005 .0008 -.0005 |
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P3A .13681 .74684 .16906 .0044 .0056 .0034 .0041 .0003 .0008 .0004 |
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P3B .88714 .74808 .24583 .0050 .0058 .0033 .0057 -.0008 .0010 -.0002 |
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P4A .65834 .76867 .16115 .0045 .0061 .0028 .0045 -.0001 .0016 -.0007 |
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P4B .36724 .73522 .25388 .0054 .0071 .0034 .0048 .0006 .0002 .0009 |
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P5A .88967 .72444 -.08280 .0058 .0086 .0037 .0046 .0015 .0008 -.0004 |
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P5B .12898 .77651 .49440 .0060 .0064 .0044 .0069 -.0006 .0014 .0003 |
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P6A .40234 .79605 -.08916 .0079 .0114 .0024 .0077 .0004 -.0011 -.0005 |
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P6B .11464 .79483 .00011 .0079 .0079 .0054 .0076 -.0016 -.0026 .0000 |
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O1A .2373 .4679 -.06651 .0220 .020 .038 .0063 -.004 .0015 .0037 |
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O1B .9403 .0401 .13059 .0111 .014 .0071 .0092 .0015 -.0014 -.0008 |
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O2A .1470 .6350 .34113 .0069 .010 .0033 .0078 .0019 .0028 .0004 |
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O2B .8723 .8525 .06839 .0083 .011 .0053 .0104 -.0011 .0050 .0000 |
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O3A .2403 .5602 -.15950 .0107 .013 .0075 .0134 -.0020 .0070 -.0015 |
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O3B .2868 .5594 .07475 .0068 .0052 .0054 .0094 .0001 .0013 -.0034 |
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O4A .1086 .5828 -.12411 .0164 .021 .0091 .025 .0018 .0157 -.0002 |
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O4B .4024 .5752 .02679 .0144 .021 .012 .0144 .0041 .0122 .0048 |
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O5A .1341 .8464 -.17891 .0079 .011 .0057 .0076 -.0018 .0041 -.0009 |
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O5B .3864 .8385 .09027 .0086 .011 .0049 .011 -.0024 .0048 -.0067 |
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O6A .3848 .0949 .10266 .0086 .011 .0051 .0116 .0020 .0052 .0020 |
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O6B .1397 .1015 -.18755 .0086 .012 .0062 .0075 .0005 .0024 .0009 |
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O7A .4701 .9359 .17945 .0097 .008 .0117 .0084 .0038 .0012 .0033 |
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O7B .0502 .9630 -.26660 .0078 .011 .0048 .0058 -.0028 -.0007 .0008 |
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O8A .3080 .9412 .15010 .0056 .0045 .0057 .0084 -.0024 .0050 -.0007 |
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O8B .2109 .9432 -.23855 .0066 .008 .0047 .0057 -.0011 -.0013 .0003 |
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O9A .1755 .6655 .12955 .0068 .008 .0056 .0078 .0008 .0030 -.0018 |
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O9B .8438 .8332 .28145 .0089 .012 .0067 .0098 -.0014 .0059 .0004 |
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O10A .1662 .8925 .17222 .0069 .012 .0018 .0070 .0019 .0021 .0018 |
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O10B .8571 .6027 .24318 .0059 .0059 .0052 .0055 -.0016 -.0007 -.0019 |
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O11A .1595 .6803 .22693 .0076 .010 .0080 .0053 -.0014 .0020 -.0022 |
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O11B .8682 .8119 .18562 .0093 .012 .0070 .0087 -.0001 .0019 .0043 |
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O12A .0394 .7509 .14521 .0069 .0044 .0060 .0110 -.0026 .0031 -.0032 |
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O12B .9835 .7549 .26869 .0101 .010 .0049 .014 .0005 .0016 -.0028 |
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O13A .6659 .8187 .22086 .0075 .012 .0039 .0069 .0024 .0036 -.0003 |
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O13B .3558 .6856 .19318 .0074 .011 .0060 .0055 .0007 .0023 -.0021 |
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O14A .6946 .8721 .12729 .0063 .0069 .0055 .0052 -.0003 -.0003 .0016 |
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O14B .3327 .6307 .28725 .0075 .012 .0042 .0068 .0007 .0044 -.0003 |
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O15A .5664 .7347 .13112 .0093 .004 .0103 .0117 -.0001 -.0006 -.0012 |
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O15B .4601 .7650 .27885 .0085 .007 .0067 .0104 -.0024 .0005 .0015 |
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O16A .7145 .6434 .16005 .0052 .0078 .0019 .0058 .0006 .0019 -.0016 |
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O16B .3104 .8583 .25525 .0066 .008 .0050 .0052 .0015 -.0007 .0014 |
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O17A .8946 .8788 -.08334 .0138 .018 .0056 .0123 .0013 -.0058 .0000 |
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O17B .1184 .6232 .49746 .0176 .027 .0047 .014 .0006 -.0070 .0028 |
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O18A .8071 .6777 -.12400 .0092 .010 .0089 .0079 .0012 .0009 -.0002 |
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O18B .2123 .8217 .53560 .0108 .009 .0088 .0103 -.0030 -.0040 .0048 |
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O19A .9622 .6647 -.10367 .0105 .009 .012 .0108 .0014 .0021 -.0043 |
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O19B .0553 .8406 .51341 .0125 .009 .019 .0098 .0042 .0039 -.0023 |
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O20A .8943 .6729 -.02411 .0129 .014 .015 .0093 -.0057 .0034 .0004 |
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O20B .1267 .8217 .43494 .0107 .016 .0117 .0040 -.0012 .0024 .0014 |
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O21A .4068 .8461 -.03002 .0310 .053 .020 .010 .025 -.009 -.0051 |
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O21B .1021 .8534 -.05808 .0254 .039 .018 .009 -.019 -.010 .0077 |
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O22A .4121 .6440 -.08930 .0096 .018 .0001 .0091 -.0032 .0006 .0015 |
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O22B .1091 .6407 -.00151 .0092 .012 .0058 .0079 -.0040 .0000 .0006 |
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O23A .3188 .8378 -.12982 .0075 .014 .0030 .0050 .0005 .0021 -.0021 |
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O23B .2015 .8354 .03764 .0139 .015 .013 .012 -.0077 .0000 .0006 |
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O24A .4741 .8590 -.1099 .0183 .010 .011 .028 -.0038 -.0044 .0065 |
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O24B .0436 .8498 .02553 .0154 .012 .010 .022 .0039 -.0001 -.0076 |
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O25A .4934 .4975 -.15736 .0095 .006 .011 .012 -.0017 .0029 -.0052 |
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O25B .0305 .4989 .07229 .0077 .012 .0025 .0070 -.0022 .0001 -.0010 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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