Pertsevite-(F)
Brovkin A A, Nikishova L V
Soviet Physics Crystallography 20 (1975) 452-455
The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3)
Locality: synthetic
_database_code_amcsd 0015570
20.44 4.530 11.80 90 90 90 Pna2_1
atom     x    y     z occ Biso
Mg1  .0149 .504 .0235       .5
Mg2  .4859 .974 .2699       .6
Mg3  .2453 .468 .2591       .3
Mg4  .2542 .956 .0319       .3
Mg5  .1276 .974 .1657       .6
Mg6  .1157 .482 .3989       .6
Mg7  .3812 .486 .1201       .5
Mg8  .3780 .472  .393       .2
B1    .344 .924  .233       .3
B2    .183 .927  .394       .3
B3    .157 .445  .061       .1
B4    .023 .032  .428       .2
B5    .024  .07  .193 .56   .3
O1   .0389 .743  .156 .56   .5
F1   .0389 .743  .156 .44   .5
O2   .0295 .747  .395       .6
O3   .1015 .280  .027       .9
O4   .0665 .200  .492       .5
O5   .1665 .732  .030       .3
O6   .1703 .782  .494       .2
O7   .1986 .289  .125       .4
O8   .2002 .215  .390       .1
O9   .3006 .773  .161       .2
O10  .4663 .269  .142 .56   .4
F10  .4663 .269  .142 .44   .4
O11  .4669 .303  .391       .2
O12  .1704 .758  .297       .5
O13  .3366 .222  .253       .3
O14  .0722 .254  .263 .56   .8
F14  .0722 .254  .263 .44   .8
O15  .3989 .788  .265       .1
F    .2889 .644  .395       .3