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Khmaralite |
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Barbier J, Grew E S, Moore P B, Su S-C |
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American Mineralogist 84 (1999) 1650-1660 |
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Khmaralite, a new beryllium-bearing mineral related to sapphirine: |
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A superstructure resulting from partial ordering of Be, Al and Si on |
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tetrahedral sites |
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_database_code_amcsd 0002331 |
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16.115 14.371 11.254 90 90.90 90 P2_1/c |
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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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Fe1 .06767 .15950 -.05979 .04 .0062 .0047 .0051 .0002 .0007 -.0002 |
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Al1 .06767 .15950 -.05979 .96 .0062 .0047 .0051 .0002 .0007 -.0002 |
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Fe2 .30694 .15904 -.31654 .02 .0059 .0050 .0052 .0002 .0009 .0005 |
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Al2 .30694 .15904 -.31654 .98 .0059 .0050 .0052 .0002 .0009 .0005 |
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Fe3 .18813 .05663 -.18449 .07 .0060 .0038 .0064 .0000 .0013 -.0002 |
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Al3 .18813 .05663 -.18449 .93 .0060 .0038 .0064 .0000 .0013 -.0002 |
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Fe4 .43951 .05696 -.43855 .24 .0066 .0033 .0076 .0001 .0023 .0005 |
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Mg4 .43951 .05696 -.43855 .76 .0066 .0033 .0076 .0001 .0023 .0005 |
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Fe5 .07223 .36836 -.06464 .18 .0078 .0040 .0049 .0003 .0005 -.0003 |
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Mg5 .07223 .36836 -.06464 .57 .0078 .0040 .0049 .0003 .0005 -.0003 |
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Al5 .07223 .36836 -.06464 .25 .0078 .0040 .0049 .0003 .0005 -.0003 |
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Fe6 .30409 .37321 -.31160 .21 .0061 .0058 .0053 .0003 .0004 -.0005 |
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Mg6 .30409 .37321 -.31160 .79 .0061 .0058 .0053 .0003 .0004 -.0005 |
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Fe7 .43740 .25938 -.43755 .03 .0079 .0039 .0046 .0001 .0006 -.0001 |
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Al7 .43740 .25938 -.43755 .97 .0079 .0039 .0046 .0001 .0006 -.0001 |
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Fe8 .43783 .24859 -.18710 .03 .0068 .0050 .0044 -.0006 .0005 -.0005 |
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Al8 .43783 .24859 -.18710 .97 .0068 .0050 .0044 -.0006 .0005 -.0005 |
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Fe9 .56946 .15861 -.55686 .07 .0056 .0055 .0054 -.0005 .0013 -.0011 |
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Mg9 .56946 .15861 -.55686 .27 .0056 .0055 .0054 -.0005 .0013 -.0011 |
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Al9 .56946 .15861 -.55686 .66 .0056 .0055 .0054 -.0005 .0013 -.0011 |
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Fe10 .80404 .15344 -.82020 .10 .0057 .0049 .0059 .0001 .0013 .0010 |
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Mg10 .80404 .15344 -.82020 .17 .0057 .0049 .0059 .0001 .0013 .0010 |
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Al10 .80404 .15344 -.82020 .73 .0057 .0049 .0059 .0001 .0013 .0010 |
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Fe11 .68715 .05624 -.68682 .15 .0056 .0039 .0073 .0000 .0018 .0000 |
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Mg11 .68715 .05624 -.68682 .61 .0056 .0039 .0073 .0000 .0018 .0000 |
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Al11 .68715 .05624 -.68682 .24 .0056 .0039 .0073 .0000 .0018 .0000 |
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Fe12 .93494 .05719 -.93847 .17 .0066 .0033 .0075 -.0002 .0025 .0003 |
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Mg12 .93494 .05719 -.93847 .83 .0066 .0033 .0075 -.0002 .0025 .0003 |
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Fe13 .57726 .37211 -.56684 .28 .0081 .0050 .0051 .0019 .0003 -.0012 |
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Mg13 .57726 .37211 -.56684 .72 .0081 .0050 .0051 .0019 .0003 -.0012 |
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Fe14 .79912 .37061 -.80751 .25 .0075 .0044 .0060 -.0004 -.0008 .0008 |
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Mg14 .79912 .37061 -.80751 .75 .0075 .0044 .0060 -.0004 -.0008 .0008 |
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Fe15 .93696 .25841 -.93826 .04 .0077 .0042 .0043 -.0001 .0008 .0000 |
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Al15 .93696 .25841 -.93826 .96 .0077 .0042 .0043 -.0001 .0008 .0000 |
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Fe16 .93620 .24922 -.68757 .04 .0068 .0048 .0045 -.0005 .0004 -.0001 |
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Al16 .93620 .24922 -.68757 .96 .0068 .0048 .0045 -.0005 .0004 -.0001 |
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Al1 .12523 .55322 .07500 .73 .0059 .0032 .0045 .0002 .0005 .0001 |
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Si1 .12523 .55322 .07500 .27 .0059 .0032 .0045 .0002 .0005 .0001 |
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Al2 .37853 .55263 -.17448 .33 .0062 .0029 .0046 .0001 .0007 -.0001 |
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Si2 .37853 .55263 -.17448 .16 .0062 .0029 .0046 .0001 .0007 -.0001 |
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Be2 .37853 .55263 -.17448 .51 .0062 .0029 .0046 .0001 .0007 -.0001 |
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Al3 .25517 .44937 -.05142 .04 .0062 .0033 .0041 .0001 .0001 -.0003 |
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Si3 .25517 .44937 -.05142 .78 .0062 .0033 .0041 .0001 .0001 -.0003 |
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Be3 .25517 .44937 -.05142 .18 .0062 .0033 .0041 .0001 .0001 -.0003 |
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Al4 .49964 .44408 -.29784 .38 .0061 .0033 .0045 -.0010 .0002 .0004 |
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Si4 .49964 .44408 -.29784 .59 .0061 .0033 .0045 -.0010 .0002 .0004 |
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Be4 .49964 .44408 -.29784 .03 .0061 .0033 .0045 -.0010 .0002 .0004 |
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Al5 .37776 .75132 -.18975 .61 .0048 .0061 .0031 .0003 .0006 .0000 |
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Si5 .37776 .75132 -.18975 .37 .0048 .0061 .0031 .0003 .0006 .0000 |
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Fe5 .37776 .75132 -.18975 .02 .0048 .0061 .0031 .0003 .0006 .0000 |
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Al6 .25335 .24640 -.06537 .76 .0052 .0050 .0037 -.0006 .0006 -.0001 |
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Si6 .25335 .24640 -.06537 .22 .0052 .0050 .0037 -.0006 .0006 -.0001 |
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Fe6 .25335 .24640 -.06537 .02 .0052 .0050 .0037 -.0006 .0006 -.0001 |
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Al7 .62550 .55428 -.42714 .61 .0063 .0031 .0047 -.0003 -.0003 .0005 |
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Si7 .62550 .55428 -.42714 .39 .0063 .0031 .0047 -.0003 -.0003 .0005 |
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Si8 .87702 .55249 -.67401 .95 .0059 .0033 .0040 .0003 .0003 -.0002 |
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Be8 .87702 .55249 -.67401 .05 .0059 .0033 .0040 .0003 .0003 -.0002 |
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Al9 .75273 .45194 -.54963 .30 .0061 .0034 .0051 .0001 .0007 .0000 |
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Be9 .75273 .45194 -.54963 .70 .0061 .0034 .0051 .0001 .0007 .0000 |
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Al10 .00003 .44167 .19962 .96 .0061 .0032 .0044 -.0002 .0004 .0000 |
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Si10 .00003 .44167 .19962 .04 .0061 .0032 .0044 -.0002 .0004 .0000 |
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Al11 .87801 .75577 -.68986 .85 .0054 .0045 .0039 .0002 .0005 .0003 |
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Si11 .87801 .75577 -.68986 .12 .0054 .0045 .0039 .0002 .0005 .0003 |
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Fe11 .87801 .75577 -.68986 .03 .0054 .0045 .0039 .0002 .0005 .0003 |
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Al12 .75220 .25148 -.56486 .09 .0050 .0056 .0035 -.0003 .0006 -.0001 |
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Si12 .75220 .25148 -.56486 .91 .0050 .0056 .0035 -.0003 .0006 -.0001 |
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O1 .43926 -.25671 -.56405 .0075 .0057 .0066 -.0005 .0010 -.0005 |
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O2 .18532 -.25032 -.31536 .0067 .0067 .0067 -.0005 .0003 .0001 |
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O3 .06258 .05891 .05554 .0071 .0051 .0038 .0002 -.0005 .0005 |
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O4 .30918 .05977 -.19645 .0088 .0073 .0065 -.0009 .0006 .0010 |
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O5 .18201 .15655 -.07024 .0067 .0107 .0058 .0003 .0009 .0002 |
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O6 .07843 -.16963 -.18107 .0069 .0039 .0043 .0001 .0004 -.0003 |
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O7 .18993 -.04900 -.07531 .0072 .0096 .0047 .0003 .0006 -.0002 |
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O8 .06767 .06083 -.17604 .0083 .0049 .0049 -.0005 -.0004 -.0004 |
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O9 .44138 -.25268 -.31211 .0071 .0056 .0076 -.0002 -.0004 .0009 |
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O10 .18724 -.25433 -.05834 .0067 .0074 .0062 .0007 .0004 -.0001 |
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O11 .43859 -.46189 -.28915 .0087 .0058 .0073 .0010 .0017 -.0004 |
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O12 .19011 -.46087 -.04654 .0102 .0059 .0063 .0010 .0012 -.0002 |
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O13 .19399 .15396 -.30292 .0062 .0067 .0066 .0002 .0009 -.0004 |
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O14 .04996 -.16834 .05750 .0061 .0043 .0036 .0003 .0007 .0002 |
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O15 .32622 -.35101 -.18823 .0078 .0038 .0067 .0000 .0006 .0003 |
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O16 .06357 -.34607 .06499 .0082 .0046 .0044 -.0001 .0007 .0004 |
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O17 .43946 -.45906 -.58271 .0116 .0064 .0086 .0008 -.0009 -.0016 |
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O18 .18583 -.46500 -.33301 .0083 .0049 .0072 -.0018 .0005 -.0005 |
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O19 .29676 -.35167 -.43684 .0083 .0049 .0074 .0008 .0011 -.0003 |
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O20 .06670 -.34461 -.18930 .0081 .0035 .0046 -.0003 .0009 -.0007 |
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O21 .94132 -.25604 -.05983 .0064 .0048 .0044 -.0001 -.0001 -.0002 |
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O22 .68156 -.25199 -.80959 .0069 .0053 .0058 .0000 .0000 -.0007 |
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O23 .56476 .05920 -.44776 .0077 .0064 .0061 .0001 -.0006 -.0002 |
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O24 .81161 .05192 -.70281 .0086 .0097 .0062 -.0018 .0000 .0009 |
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O25 .68466 .16572 -.56825 .0077 .0100 .0068 .0004 .0004 .0001 |
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O26 .57580 -.16952 -.68162 .0065 .0041 .0041 -.0001 .0006 -.0002 |
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O27 .68734 -.05750 -.57214 .0079 .0064 .0059 .0006 .0004 -.0012 |
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O28 .56270 .06166 -.67674 .0094 .0067 .0069 .0001 .0013 -.0002 |
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O29 .94415 -.25161 -.81537 .0060 .0047 .0044 .0004 .0009 .0004 |
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O30 .68465 -.25652 -.56440 .0070 .0051 .0056 .0007 .0006 .0005 |
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O31 .93602 -.45973 -.78993 .0085 .0045 .0058 .0013 .0014 .0003 |
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O32 .68424 -.46186 -.54871 .0094 .0079 .0073 .0019 .0020 .0008 |
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O33 .69073 .16136 -.80738 .0108 .0107 .0062 -.0028 .0005 -.0003 |
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O34 .54805 -.17164 -.44298 .0071 .0050 .0039 .0003 .0005 .0006 |
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O35 .82433 -.35166 -.68688 .0063 .0033 .0065 .0002 .0005 .0003 |
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O36 .56172 -.34792 -.43582 .0120 .0052 .0050 -.0016 .0000 .0006 |
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O37 .93915 -.45726 -.07569 .0086 .0053 .0066 -.0008 .0012 -.0007 |
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O38 .68573 -.46402 -.83218 .0085 .0054 .0057 -.0014 .0010 -.0006 |
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O39 .79933 -.35256 -.93602 .0078 .0050 .0071 .0010 .0009 -.0004 |
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O40 .56128 -.34735 -.68979 .0091 .0046 .0055 .0006 .0006 -.0005 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Total number of retrieved datasets: 