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American Mineralogist Crystal Structure Database

1 matching records for this search.

Fichtelite
Download hom/fichtelite.pdf 
Mace H A, Peterson R C
Download cm/vol33/CM33_7.pdf 
The Canadian Mineralogist 33 (1995) 7-11
The crystal structure of fichtelite, a naturally occuring hydrocarbon
_database_code_amcsd 0005418
10.706 7.458 10.824 90 105.85 90 P2_1
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
C1   .2185  .440 .6233        .084   .052   .071  -.011   .014  -.004
C2   .2271  .347 .7502        .079   .055   .085  -.007   .010   .015
C3   .3596  .376 .8411        .093   .065   .073   .015   .027   .014
C4   .3942  .573 .8651        .056   .060   .063   .007   .009  -.002
C5   .3743  .671 .7354        .055   .065   .057   .007   .015  -.003
C6   .4093  .870 .7514        .069   .061   .070  -.020   .001  -.008
C7   .4189  .953 .6256        .059   .064   .070  -.019   .011  -.004
C8   .2959  .919 .5177        .053   .054   .061  -.004   .018  -.006
C9   .2595  .719 .5046        .053   .044   .055  -.005   .010  -.006
C10  .2426  .645 .6348        .055   .040   .066  -.003   .007   .003
C11  .1423  .697 .3925        .103   .037   .073  -.023   .001  -.004
C12  .1654  .766 .2688        .084   .061   .056  -.009   .002  -.002
C13  .1909  .969 .2780        .051   .062   .064   .004   .017  -.003
C14  .3122 -.005 .3920        .058   .065   .061  -.008   .017   .000
C15  .2084  .058 .1551        .057   .100   .057   .003   .015   .014
C16   .212  .262  .172        .150   .074   .072  -.043   .010   .028
C17   .099  .016  .042        .117   .064   .095   .013   .021   .015
C18  .3215  .657 .9575        .099   .085   .058   .010   .029   .007
C19  .1292  .732 .6699        .046   .085   .078   .004   .024   .008
H1    .269   .40  .582  .08
H2    .881 -.080  .439  .04
H3    .797  -.29  .268  .08
H4    .135  .416  .784  .07
H5    .574 -.165  .200  .06
H6    .653 -.213  .074  .08
H7    .506  .072  .106  .04
H8    .446  .615  .681  .04
H9    .486  .872  .800  .07
H10   .662  .438  .205  .07
H11   .501   .39  .400  .15
H12   .522   .55  .375  .16
H13   .772  .480  .460  .02
H14   .346  .613  .478  .07
H15   .969   .27  .596  .12
H16   .126  .603  .375  .01
H17   .266   .68  .254  .12
H18   .894  .241  .804  .02
H19   .892  .508  .704  .04
H20   .347   .11  .386  .12
H21   .392   .89  .352  .13
H22   .694  .502  .857  .06
H23   .095  .929  .028  .01
H24   .144   .09  .967  .14
H25  -.015   .04  .045  .12
H26   .228   .30  .109  .03
H27   .263  .336  .226  .05
H28   .202   .62  .922  .16
H29   .334   .81  .984  .09
H30   .337  .623  .026  .04
H31   .103  .689  .747  .07
H32   .048   .71  .617  .08
H33   .131   .85  .695  .10


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  Download diffraction data (View Text File)
  View JMOL 3-D Structure (permalink)

	 

	

					
				
				
				
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	Total number of retrieved datasets: 1

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