American Mineralogist Crystal Structure Database

1 matching records for this search.

Hydroxylclinohumite
 
Fujino K, Takeuchi Y
American Mineralogist 63 (1978) 535-543
Crystal chemistry of titanian chondrodite and titanian clinohumite of
high-pressure origin
_database_code_amcsd 0000668
4.745 10.283 13.699 101.00 90 90 P2_1/b
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg1c     .5      0     .5 .88 .00428 .00144 .00064 -.00011 -.00008  .00024
Fe1c     .5      0     .5 .10 .00428 .00144 .00064 -.00011 -.00008  .00024
Ti1c     .5      0     .5 .02 .00428 .00144 .00064 -.00011 -.00008  .00024
Mg1n .49665 .94603 .27464 .87 .00500 .00140 .00061  .00013  .00029  .00000
Fe1n .49665 .94603 .27464 .11 .00500 .00140 .00061  .00013  .00029  .00000
Ti1n .49665 .94603 .27464 .02 .00500 .00140 .00061  .00013  .00029  .00000
Mg25 .01510 .13976 .16975 .87 .00621 .00119 .00070 -.00006 -.00003  .00019
Fe25 .01510 .13976 .16975 .13 .00621 .00119 .00070 -.00006 -.00003  .00019
Mg26 .51051 .25040 .38777 .87 .00618 .00098 .00067 -.00013 -.00018  .00009
Fe26 .51051 .25040 .38777 .13 .00618 .00098 .00067 -.00013 -.00018  .00009
Mg3  .49488 .88433 .04094 .67 .00631 .00249 .00077  .00109 -.00041 -.00023
Fe3  .49488 .88433 .04094 .15 .00631 .00249 .00077  .00109 -.00041 -.00023
Ti3  .49488 .88433 .04094 .18 .00631 .00249 .00077  .00109 -.00041 -.00023
Si1  .07266 .06676 .38979     .00316 .00106 .00064 -.00011 -.00005  .00015
Si2  .07556 .17647 .83515     .00390 .00107 .00055  .00009  .00003  .00014
O1   .73273 .06454 .38817     .00421 .00148 .00069  .00013  .00024  .00016
O2   .28065 .42061 .38784     .00570 .00112 .00068  .00009  .00016  .00022
O3   .22140 .11282 .29420     .00524 .00130 .00079 -.00007 -.00010  .00032
O4   .22022 .15850 .48640     .00482 .00145 .00066  .00015 -.00001 -.00011
O5   .23521 .32327 .16313     .00489 .00137 .00064  .00008  .00002  .00022
O6   .77724 .96806 .16339     .00537 .00098 .00073  .00039  .00016  .00013
O7   .72257 .27891 .26139     .00599 .00149 .00069  .00004 -.00039  .00036
O8   .72554 .22876 .06896     .00720 .00138 .00070 -.00021  .00051 -.00002
O9   .25717 .04469 .05356     .01123 .00222 .00087  .00014  .00116  .00001
H       .06   .022   .027 .57
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