American Mineralogist Crystal Structure Database

4 matching records for this search.

Laachite
 
Whittle K R, Hyatt N C, Smith K L, Margiolaki I,
Berry F J, Knight K S, Lumpkin G R
 
American Mineralogist 97 (2012) 291-298
Combined neutron and X-ray diffraction determination
of disorder in doped zirconolite-2M
Note: CaZrFeNbO7, model 1
Locality: synthetic
_database_code_amcsd 0020829
12.670281 7.378349 11.525772 90 100.66950 90 C2/c
atom       x      y       z occ   Uiso
Ca    .37677 .12347  .49708     .01483
Zr    .11926 .12832 .974373     .02281
Fe1   .24865 .12406  .74347 .50 .00715
Nb1   .24865 .12406  .74347 .50 .00715
Fe2   .47087 .06952  .25151 .50 .02430
Nb3       .0 .13108     .25     .02371
O1    .30165 .12702  .28512      .0186
O2    .46881 .13738  .09745      .0178
O3    .20436 .08169  .56876      .0107
O4    .39578 .16061  .71542      .0176
O5    .71143 .17661  .58436      .0196
O6   -.00434 .11928  .42021      .0172
O7    .11282 .05607  .79397      .0187
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Laachite
 
Whittle K R, Hyatt N C, Smith K L, Margiolaki I,
Berry F J, Knight K S, Lumpkin G R
 
American Mineralogist 97 (2012) 291-298
Combined neutron and X-ray diffraction determination
of disorder in doped zirconolite-2M
Note: CaZrFeNbO7, model 2
Locality: synthetic
_database_code_amcsd 0020830
12.670281 7.378349 11.525772 90 100.66950 90 C2/c
atom       x      y       z occ   Uiso
Ca    .37635 .12246  .49596     .01700
Zr    .11908 .12845 .974884     .02392
Nb1   .24863 .12375  .74284     .01296
Fe2   .46956 .06860  .25137 .50 .02149
Fe3       .0 .13058     .25     .00598
O1    .30168 .12885  .28364      .0136
O2    .46909 .14037  .09745      .0154
O3    .20563 .08250  .56867      .0149
O4    .39660 .16677  .71722      .0153
O5    .70941 .18171  .58284      .0135
O6   -.00607 .12100  .41584      .0136
O7    .10921 .05150  .79405      .0189
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Laachite
 
Whittle K R, Hyatt N C, Smith K L, Margiolaki I,
Berry F J, Knight K S, Lumpkin G R
 
American Mineralogist 97 (2012) 291-298
Combined neutron and X-ray diffraction determination
of disorder in doped zirconolite-2M
Note: CaZrFeNbO7, model 3
Locality: synthetic
_database_code_amcsd 0020831
12.670281 7.378349 11.525772 90 100.66950 90 C2/c
atom       x      y       z occ  Uiso
Ca    .37665 .12293  .49666     .0177
Zr    .11915 .12839 .974528     .0258
Fe1   .24856 .12356  .74309 .21 .0092
Nb1   .24856 .12356  .74309 .79 .0092
Fe2   .46946 .06708  .25155 .50 .0239
Fe3       .0 .13079     .25 .58 .0125
Nb3       .0 .13079     .25 .42 .0125
O1    .30083 .12864  .28376     .0178
O2    .46886 .13961  .09774     .0167
O3    .20485 .08221  .56824     .0125
O4    .39554 .16499  .71682     .0146
O5    .71011 .18073  .58384     .0153
O6   -.00603 .12121  .41724     .0145
O7    .11093 .05351  .79435     .0185
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 4
View in amc, download in amc

Return to AMCSD Home Page