American Mineralogist Crystal Structure Database

1 matching records for this search.

Laachite
 
Chukanov N V, Krivovichev S V, Pakhomova A S,Pekov I V,Schafer C, Vigasina M F, Van K V
 
European Journal of Mineralogy 26 (2011) 103-111
Laachite, (Ca,Mn)2Zr2Nb2TiFeO14, a new zirconolite-related mineral from the Eifel
volcanic region, Germany
Locality: Laach Lake volcano, Eifel region, Germany
_database_code_amcsd 0020511
7.3119 14.1790 10.1700 90 90.072 90 C2/c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Nb1        0 .383135     .25 .44 .00738 .00932 .00521 .00759       0 -.00081       0
Ti1        0 .383135     .25 .40 .00738 .00932 .00521 .00759       0 -.00081       0
Al1        0 .383135     .25 .16 .00738 .00932 .00521 .00759       0 -.00081       0
Nb2     -.25     .75       0 .82 .01035 .01232 .00973 .00900  .00234 -.00182  .00080
Ti2     -.25     .75       0 .18 .01035 .01232 .00973 .00900  .00234 -.00182  .00080
Ti3        0 .882243     .25 .72 .01061 .01009 .01288 .00887       0  .00096       0
Nb3        0 .882243     .25 .28 .01061 .01009 .01288 .00887       0  .00096       0
Ca1      -.5 .631560     .25 .28 .00655 .00549 .00928 .00488       0  .00079       0
Mn1      -.5 .631560     .25 .26 .00655 .00549 .00928 .00488       0  .00079       0
Ce1      -.5 .631560     .25 .16 .00655 .00549 .00928 .00488       0  .00079       0
La1      -.5 .631560     .25 .05 .00655 .00549 .00928 .00488       0  .00079       0
Nd1      -.5 .631560     .25 .05 .00655 .00549 .00928 .00488       0  .00079       0
Th1      -.5 .631560     .25 .14 .00655 .00549 .00928 .00488       0  .00079       0
Y1       -.5 .631560     .25 .06 .00655 .00549 .00928 .00488       0  .00079       0
Ca2        0 .632491     .25 .32 .00837 .00822 .00897 .00793       0 -.00015       0
Mn2        0 .632491     .25 .28 .00837 .00822 .00897 .00793       0 -.00015       0
Ce2        0 .632491     .25 .14 .00837 .00822 .00897 .00793       0 -.00015       0
La2        0 .632491     .25 .05 .00837 .00822 .00897 .00793       0 -.00015       0
Nd2        0 .632491     .25 .05 .00837 .00822 .00897 .00793       0 -.00015       0
Th2        0 .632491     .25 .14 .00837 .00822 .00897 .00793       0 -.00015       0
Y2         0 .632491     .25 .02 .00837 .00822 .00897 .00793       0 -.00015       0
Zr1  -.24980 .483043 .013914 .78 .00988 .01276 .00724 .00963  .00042 -.00252 -.00205
Mn3  -.24980 .483043 .013914 .22 .00988 .01276 .00724 .00963  .00042 -.00252 -.00205
Fe1  -.29920  .24390 -.00901 .34 .05016 .07151 .03084 .04804 -.02850 -.02959  .02942
Mn4  -.29920  .24390 -.00901 .10 .05016 .07151 .03084 .04804 -.02850 -.02959  .02942
Y3   -.29920  .24390 -.00901 .06 .05016 .07151 .03084 .04804 -.02850 -.02959  .02942
O1   -.25248  .62075  .08905     .00894 .00992 .00591 .01099  -.0029   .0026 -.00178
O2   -.03977  .98257  .12119     .01297 .01948 .00731 .01210  .00180 -.01300  .00010
O3    .03600  .48118  .11947     .01699 .00330 .01059 .00741  .00126 -.00825  .00333
O4    -.2521  .13947  .10165     .01282 .01320 .01238 .01289  -.0006  -.0001 -.00182
O5   -.05679  .78155  .12714     .01263 .02337 .00358 .01089 -.00462 -.00944  .00101
O6    .05878  .28280  .12530     .01353 .01441  .0171 .00911  .00008  .00200 -.00385
O7   -.24932  .38714  .17805     .01417 .00880 .01885 .01486   .0003  -.0044  .00629
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Total number of retrieved datasets: 1
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