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American Mineralogist Crystal Structure Database

2 matching records for this search.

Pertsevite-(F)
 
Schreyer W, Armbruster T, Bernhardt H J, Medenbach O
 
European Journal of Mineralogy 15 (2003) 1007-1018
Pertsevite, a new silication magnesioborate mineral with an end-member
composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia
_database_code_amcsd 0007020
20.490 4.571 11.890 90 90 90 Pna2_1
atom      x     y      z occ Biso
Mg1   .3780 .5195  .2506      .75
Mg2   .6179 .9879  .2455      .75
Mg3   .2464  .532  .1137      .75
Mg4   .2479  .532  .3903      .75
Mg5   .3784  .517 -.0205      .75
Mg6   .3768  .519  .5256      .75
Mg7   .4850  .995  .1234      .75
Mg8   .5117  .978 -.1227      .75
B1    .3435  .044   .418 .91  .36
Si1    .330  .117   .372 .09  .36
B2     .523  .530   .220 .60  .36
B2A    .522   .58   .034 .15  .36
Si2   .5346  .576   .263 .25  .36
B3    .1848  .067   .243 .73  .36
Si3   .2103  .108   .258 .27  .36
B4    .3450  .079   .093      .36
O1    .3339  .766  .1148      .96
O2    .3375  .769   .390      .96
O3    .2033  .769   .256      .96
O4    .3286  .713 -.1505      .96
O5    .1705  .238  .1471      .96
O6    .4619  .750 -.0068 .48  .96
OH6   .4619  .750 -.0068 .16  .96
F6    .4619  .750 -.0068 .36  .96
O7    .5368  .249  .0082 .48  .96
OH7   .5368  .249  .0082 .16  .96
F7    .5368  .249  .0082 .36  .96
O8    .5308  .244   .245 .48  .96
OH8   .5308  .244   .245 .16  .96
F8    .5308  .244   .245 .36  .96
O9    .4013  .213  .1200      .96
O10   .3992  .219  .3856      .96
O11   .1992  .719  -.013      .96
O12   .3018  .211  .0189      .96
O13   .4663  .702   .250 .48  .96
OH13  .4663  .702   .250 .16  .96
F13   .4663  .702   .250 .36  .96
O14   .4239  .243 -.1228 .48  .96
OH14  .4239  .243 -.1228 .16  .96
F14   .4239  .243 -.1228 .36  .96
O15   .5675  .705  .1505      .96
O16   .2884  .317   .250 .48  .96
OH16  .2884  .317   .250 .16  .96
F16   .2884  .317   .250 .36  .96
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View JMOL 3-D Structure (permalink)
 
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
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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