American Mineralogist Crystal Structure Database

2 matching records for this search.

Babefphite
Download hom/babefphite.pdf
Shashkin D N, Simonov M A, Belov N V
 
Doklady Akademii Nauk SSSR 176 (1967) 1392-1395
Crystal structure of babepfite BaBePO4F = Ba(Be,P)2O4F
_database_code_amcsd 0012446
6.93 16.740 6.93 90 90 90 Fdd2
atom     x    y    z occ Biso
Ba       0    0    0       .7
P     .004 .083 .505  .5   .7
Be    .004 .083 .505  .5   .7
O1    .046 .155  .63  .5   .7
O2       0    0 .598       .7
O3   -.204 .095  .37  .5   .7
O4    .167 .078  .34  .5   .7
F     .167 .078  .34  .5   .7
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View JMOL 3-D Structure (permalink)
 
Babefphite
Download hom/babefphite.pdf
Simonov M A, Egorov-Tismenko Y K, Belov N V
 
Soviet Physics Crystallography 25 (1980) 28-31
Use of modern X-ray equipment to solve fine problems of structural
mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F
Locality: Aunik F-Be deposit, Transbaikalia, Eastern-Siberian Region, Russia
_database_code_amcsd 0019355
6.889 16.814 6.902 90.01 89.99 90.32 F1
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ba1      0     0     0 .003055 .000840 .004356 -.000324  .000158  .000151
Ba2    .25   .25   .25 .003530 .000681 .003779 -.000065  .000210 -.000280
Be1   .264 .1703  .741 .005268 .000707 .005248 -.001295  .002629  .000862
Be2   .514 .4184  .511 .005268 .000442 .001574  .000000 -.003155  .000215
P1   .0099 .0828 .4895 .001633 .000354 .002204 -.000324  .000000  .000022
P2   .2603 .3325 .7609 .001896 .000265 .001994 -.000022  .000105 -.000022
O1   .1637 .0794 .3334 .004214 .000884 .004198  .000000  .001577 -.000215
O2   .8981 .0026 .5002 .003161 .000354 .006822 -.000216  .000526 -.000431
O3   .1467 .2521 .7498 .002634 .000354 .007872  .000000  .000000  .000215
O4   .3499 .3488 .5601 .005268 .000707 .008397 -.001079  .001577 -.000431
O5   .4127 .3291 .9167 .003688 .000884 .004198  .000000 -.001052 -.000215
O6   .3599 .1483 .9479 .004741 .000619 .003674  .000000 -.001052  .000000
O7   .1002 .0981 .6904 .004214 .000619 .003149 -.000432 -.001052  .000000
O8   .1086 .3991 .8014 .005268 .000619 .003674  .000216  .001052  .000000
F1   .4180 .1741 .5818 .004214 .001061 .004723 -.000432  .001052  .000000
F2   .1682 .4235 .1685 .003688 .000884 .004723 -.000432 -.000526 -.000215
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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