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American Mineralogist Crystal Structure Database

1 matching records for this search.

Khmaralite
  
Barbier J, Grew E S, Moore P B, Su S-C
Download am/vol84/AM84_1650.pdf 
American Mineralogist 84 (1999) 1650-1660
Khmaralite, a new beryllium-bearing mineral related to sapphirine:
A superstructure resulting from partial ordering of Be, Al and Si on
tetrahedral sites
_database_code_amcsd 0002331
16.115 14.371 11.254 90 90.90 90 P2_1/c
atom      x       y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .06767  .15950 -.05979 .04  .0062  .0047  .0051  .0002  .0007 -.0002
Al1  .06767  .15950 -.05979 .96  .0062  .0047  .0051  .0002  .0007 -.0002
Fe2  .30694  .15904 -.31654 .02  .0059  .0050  .0052  .0002  .0009  .0005
Al2  .30694  .15904 -.31654 .98  .0059  .0050  .0052  .0002  .0009  .0005
Fe3  .18813  .05663 -.18449 .07  .0060  .0038  .0064  .0000  .0013 -.0002
Al3  .18813  .05663 -.18449 .93  .0060  .0038  .0064  .0000  .0013 -.0002
Fe4  .43951  .05696 -.43855 .24  .0066  .0033  .0076  .0001  .0023  .0005
Mg4  .43951  .05696 -.43855 .76  .0066  .0033  .0076  .0001  .0023  .0005
Fe5  .07223  .36836 -.06464 .18  .0078  .0040  .0049  .0003  .0005 -.0003
Mg5  .07223  .36836 -.06464 .57  .0078  .0040  .0049  .0003  .0005 -.0003
Al5  .07223  .36836 -.06464 .25  .0078  .0040  .0049  .0003  .0005 -.0003
Fe6  .30409  .37321 -.31160 .21  .0061  .0058  .0053  .0003  .0004 -.0005
Mg6  .30409  .37321 -.31160 .79  .0061  .0058  .0053  .0003  .0004 -.0005
Fe7  .43740  .25938 -.43755 .03  .0079  .0039  .0046  .0001  .0006 -.0001
Al7  .43740  .25938 -.43755 .97  .0079  .0039  .0046  .0001  .0006 -.0001
Fe8  .43783  .24859 -.18710 .03  .0068  .0050  .0044 -.0006  .0005 -.0005
Al8  .43783  .24859 -.18710 .97  .0068  .0050  .0044 -.0006  .0005 -.0005
Fe9  .56946  .15861 -.55686 .07  .0056  .0055  .0054 -.0005  .0013 -.0011
Mg9  .56946  .15861 -.55686 .27  .0056  .0055  .0054 -.0005  .0013 -.0011
Al9  .56946  .15861 -.55686 .66  .0056  .0055  .0054 -.0005  .0013 -.0011
Fe10 .80404  .15344 -.82020 .10  .0057  .0049  .0059  .0001  .0013  .0010
Mg10 .80404  .15344 -.82020 .17  .0057  .0049  .0059  .0001  .0013  .0010
Al10 .80404  .15344 -.82020 .73  .0057  .0049  .0059  .0001  .0013  .0010
Fe11 .68715  .05624 -.68682 .15  .0056  .0039  .0073  .0000  .0018  .0000
Mg11 .68715  .05624 -.68682 .61  .0056  .0039  .0073  .0000  .0018  .0000
Al11 .68715  .05624 -.68682 .24  .0056  .0039  .0073  .0000  .0018  .0000
Fe12 .93494  .05719 -.93847 .17  .0066  .0033  .0075 -.0002  .0025  .0003
Mg12 .93494  .05719 -.93847 .83  .0066  .0033  .0075 -.0002  .0025  .0003
Fe13 .57726  .37211 -.56684 .28  .0081  .0050  .0051  .0019  .0003 -.0012
Mg13 .57726  .37211 -.56684 .72  .0081  .0050  .0051  .0019  .0003 -.0012
Fe14 .79912  .37061 -.80751 .25  .0075  .0044  .0060 -.0004 -.0008  .0008
Mg14 .79912  .37061 -.80751 .75  .0075  .0044  .0060 -.0004 -.0008  .0008
Fe15 .93696  .25841 -.93826 .04  .0077  .0042  .0043 -.0001  .0008  .0000
Al15 .93696  .25841 -.93826 .96  .0077  .0042  .0043 -.0001  .0008  .0000
Fe16 .93620  .24922 -.68757 .04  .0068  .0048  .0045 -.0005  .0004 -.0001
Al16 .93620  .24922 -.68757 .96  .0068  .0048  .0045 -.0005  .0004 -.0001
Al1  .12523  .55322  .07500 .73  .0059  .0032  .0045  .0002  .0005  .0001
Si1  .12523  .55322  .07500 .27  .0059  .0032  .0045  .0002  .0005  .0001
Al2  .37853  .55263 -.17448 .33  .0062  .0029  .0046  .0001  .0007 -.0001
Si2  .37853  .55263 -.17448 .16  .0062  .0029  .0046  .0001  .0007 -.0001
Be2  .37853  .55263 -.17448 .51  .0062  .0029  .0046  .0001  .0007 -.0001
Al3  .25517  .44937 -.05142 .04  .0062  .0033  .0041  .0001  .0001 -.0003
Si3  .25517  .44937 -.05142 .78  .0062  .0033  .0041  .0001  .0001 -.0003
Be3  .25517  .44937 -.05142 .18  .0062  .0033  .0041  .0001  .0001 -.0003
Al4  .49964  .44408 -.29784 .38  .0061  .0033  .0045 -.0010  .0002  .0004
Si4  .49964  .44408 -.29784 .59  .0061  .0033  .0045 -.0010  .0002  .0004
Be4  .49964  .44408 -.29784 .03  .0061  .0033  .0045 -.0010  .0002  .0004
Al5  .37776  .75132 -.18975 .61  .0048  .0061  .0031  .0003  .0006  .0000
Si5  .37776  .75132 -.18975 .37  .0048  .0061  .0031  .0003  .0006  .0000
Fe5  .37776  .75132 -.18975 .02  .0048  .0061  .0031  .0003  .0006  .0000
Al6  .25335  .24640 -.06537 .76  .0052  .0050  .0037 -.0006  .0006 -.0001
Si6  .25335  .24640 -.06537 .22  .0052  .0050  .0037 -.0006  .0006 -.0001
Fe6  .25335  .24640 -.06537 .02  .0052  .0050  .0037 -.0006  .0006 -.0001
Al7  .62550  .55428 -.42714 .61  .0063  .0031  .0047 -.0003 -.0003  .0005
Si7  .62550  .55428 -.42714 .39  .0063  .0031  .0047 -.0003 -.0003  .0005
Si8  .87702  .55249 -.67401 .95  .0059  .0033  .0040  .0003  .0003 -.0002
Be8  .87702  .55249 -.67401 .05  .0059  .0033  .0040  .0003  .0003 -.0002
Al9  .75273  .45194 -.54963 .30  .0061  .0034  .0051  .0001  .0007  .0000
Be9  .75273  .45194 -.54963 .70  .0061  .0034  .0051  .0001  .0007  .0000
Al10 .00003  .44167  .19962 .96  .0061  .0032  .0044 -.0002  .0004  .0000
Si10 .00003  .44167  .19962 .04  .0061  .0032  .0044 -.0002  .0004  .0000
Al11 .87801  .75577 -.68986 .85  .0054  .0045  .0039  .0002  .0005  .0003
Si11 .87801  .75577 -.68986 .12  .0054  .0045  .0039  .0002  .0005  .0003
Fe11 .87801  .75577 -.68986 .03  .0054  .0045  .0039  .0002  .0005  .0003
Al12 .75220  .25148 -.56486 .09  .0050  .0056  .0035 -.0003  .0006 -.0001
Si12 .75220  .25148 -.56486 .91  .0050  .0056  .0035 -.0003  .0006 -.0001
O1   .43926 -.25671 -.56405      .0075  .0057  .0066 -.0005  .0010 -.0005
O2   .18532 -.25032 -.31536      .0067  .0067  .0067 -.0005  .0003  .0001
O3   .06258  .05891  .05554      .0071  .0051  .0038  .0002 -.0005  .0005
O4   .30918  .05977 -.19645      .0088  .0073  .0065 -.0009  .0006  .0010
O5   .18201  .15655 -.07024      .0067  .0107  .0058  .0003  .0009  .0002
O6   .07843 -.16963 -.18107      .0069  .0039  .0043  .0001  .0004 -.0003
O7   .18993 -.04900 -.07531      .0072  .0096  .0047  .0003  .0006 -.0002
O8   .06767  .06083 -.17604      .0083  .0049  .0049 -.0005 -.0004 -.0004
O9   .44138 -.25268 -.31211      .0071  .0056  .0076 -.0002 -.0004  .0009
O10  .18724 -.25433 -.05834      .0067  .0074  .0062  .0007  .0004 -.0001
O11  .43859 -.46189 -.28915      .0087  .0058  .0073  .0010  .0017 -.0004
O12  .19011 -.46087 -.04654      .0102  .0059  .0063  .0010  .0012 -.0002
O13  .19399  .15396 -.30292      .0062  .0067  .0066  .0002  .0009 -.0004
O14  .04996 -.16834  .05750      .0061  .0043  .0036  .0003  .0007  .0002
O15  .32622 -.35101 -.18823      .0078  .0038  .0067  .0000  .0006  .0003
O16  .06357 -.34607  .06499      .0082  .0046  .0044 -.0001  .0007  .0004
O17  .43946 -.45906 -.58271      .0116  .0064  .0086  .0008 -.0009 -.0016
O18  .18583 -.46500 -.33301      .0083  .0049  .0072 -.0018  .0005 -.0005
O19  .29676 -.35167 -.43684      .0083  .0049  .0074  .0008  .0011 -.0003
O20  .06670 -.34461 -.18930      .0081  .0035  .0046 -.0003  .0009 -.0007
O21  .94132 -.25604 -.05983      .0064  .0048  .0044 -.0001 -.0001 -.0002
O22  .68156 -.25199 -.80959      .0069  .0053  .0058  .0000  .0000 -.0007
O23  .56476  .05920 -.44776      .0077  .0064  .0061  .0001 -.0006 -.0002
O24  .81161  .05192 -.70281      .0086  .0097  .0062 -.0018  .0000  .0009
O25  .68466  .16572 -.56825      .0077  .0100  .0068  .0004  .0004  .0001
O26  .57580 -.16952 -.68162      .0065  .0041  .0041 -.0001  .0006 -.0002
O27  .68734 -.05750 -.57214      .0079  .0064  .0059  .0006  .0004 -.0012
O28  .56270  .06166 -.67674      .0094  .0067  .0069  .0001  .0013 -.0002
O29  .94415 -.25161 -.81537      .0060  .0047  .0044  .0004  .0009  .0004
O30  .68465 -.25652 -.56440      .0070  .0051  .0056  .0007  .0006  .0005
O31  .93602 -.45973 -.78993      .0085  .0045  .0058  .0013  .0014  .0003
O32  .68424 -.46186 -.54871      .0094  .0079  .0073  .0019  .0020  .0008
O33  .69073  .16136 -.80738      .0108  .0107  .0062 -.0028  .0005 -.0003
O34  .54805 -.17164 -.44298      .0071  .0050  .0039  .0003  .0005  .0006
O35  .82433 -.35166 -.68688      .0063  .0033  .0065  .0002  .0005  .0003
O36  .56172 -.34792 -.43582      .0120  .0052  .0050 -.0016  .0000  .0006
O37  .93915 -.45726 -.07569      .0086  .0053  .0066 -.0008  .0012 -.0007
O38  .68573 -.46402 -.83218      .0085  .0054  .0057 -.0014  .0010 -.0006
O39  .79933 -.35256 -.93602      .0078  .0050  .0071  .0010  .0009 -.0004
O40  .56128 -.34735 -.68979      .0091  .0046  .0055  .0006  .0006 -.0005


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	Total number of retrieved datasets: 1

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