American Mineralogist Crystal Structure Database

2 matching records for this search.

Baratovite
Download hom/baratovite.pdf
Menchetti S, Sabelli C
Download am/vol64/AM64_383.pdf
American Mineralogist 64 (1979) 383-389
The crystal structure of baratovite
16.941 9.746 20.907 90 112.50 90 C2/c
atom      x       y      z occ Biso
Ti   .33460  .07052 .25190 .87  .36
Zr   .33460  .07052 .25190 .13  .36
Ca1  .22017 -.07256 .51329      .62
Ca2  .14518  .28319 .50695      .64
Ca3  .07260  .63830 .50006      .58
Ca4       0       0     .5      .60
K         0  .07116    .25     2.52
Si1  .61404  .26552 .36061      .46
Si2  .43105  .32388 .36004      .46
Si3  .36923  .63544 .35952      .47
Si4  .49150  .87983 .36058      .46
Si5  .67409  .81512 .35930      .46
Si6  .73852  .50777 .36230      .46
Li1      .5   .0843    .25      .90
Li2   .2465   .3281  .2488     1.00
O1   .65859  .40248 .34516     1.05
O2   .65949  .22375 .44124      .78
O3   .61253  .14422 .30831      .83
O4   .51498  .30992 .34054      .94
O5   .35284  .24005 .30572      .81
O6   .45297  .28340 .43964      .91
O7   .41045  .48836 .35154     1.23
O8   .27384  .65317 .30411      .89
O9   .37909  .65109 .43871      .92
O10  .42732  .74862 .34060      .95
O11  .52081  .92000 .44137      .80
O12  .44899  .00464 .30851      .75
O13  .57291  .82063 .34558     1.07
O14  .72900  .85295 .43888      .89
O15  .69539  .90634 .30421      .81
O16  .69225  .65698 .34453     1.03
O17  .78585  .47590 .31054      .79
O18  .80087  .49875 .44299      .87
F    .10199  .06911 .45949     1.14
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Baratovite
Download hom/baratovite.pdf
Baur W H, Kassner D
 
European Journal of Mineralogy 4 (1992) 839-841
Katayamalite and baratovite are structurally identical
16.923 9.721 20.909 90 112.40 90 C2/c
atom      x       y      z
K         0  .07100 .25000
Li1  .50000  .08350 .25000
Li2  .24625  .31675 .24850
Ca1  .22050 -.07250 .51300
Ca2  .14550  .28350 .50700
Ca3  .07200  .63900 .50000
Ca4       0       0      0
Ti   .33500  .07050 .25200
Si1  .61400  .26500 .36000
Si2  .43100  .32350 .36000
Si3  .36850  .63500 .35900
Si4  .49100  .88000 .36000
Si5  .67350  .81550 .35900
Si6  .73900  .50800 .36200
O1   .65850  .40350 .34500
O2   .65900  .22350 .44100
O3   .61250  .14350 .30800
O4   .51525  .30975 .34050
O5   .35350  .23900 .30600
O6   .45200  .28300 .43900
O7   .41025  .48775 .35050
O8   .27350  .65300 .30400
O9   .37850  .65150 .43800
O10  .42675  .74875 .34050
O11  .52125  .91975 .44150
O12  .44850  .00450 .30900
O13  .57250  .82050 .34500
O14  .72800  .85450 .43800
O15  .69500  .90700 .30400
O16  .69250  .65750 .34500
O17  .78550  .47600 .31000
O18  .80050  .49850 .44200
F    .10100  .06850 .45700
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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