American Mineralogist Crystal Structure Database

3 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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Pertsevite-(OH)
 
Galuskina I O, Kadiyski M, Armbruster T, Galuskin E V, Pertsev N N,
Dzierzanowski P, Wrzalik R
 
European Journal of Mineralogy 20 (2008) 951-964
A new natural phase in the system Mg2SiO4-Mg2BO3F-Mg2BO3(OH): composition,
paragenesis and structure of OH-dominant pertsevite
Locality: East Vekhoyan'ye region, northern Siberia
_database_code_amcsd 0007266
20.494 11.890 4.5880 90 90 90 Pnma
atom       x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1   .37724   .2500  .0193      .0130  .0113  .0110  .0168   .000  .0012   .000
Mg2   .37760 -.02284  .0173      .0128  .0167  .0107  .0110 -.0012 -.0019  .0010
Mg3   .24737  .11148  .0326      .0129  .0100  .0126  .0160 -.0013 -.0005 -.0008
Mg4  -.01370  .12252 -.0079      .0145  .0122  .0140  .0173 -.0005 -.0002 -.0021
Mg5   .11879   .2500  .0133      .0154  .0136  .0155  .0171   .000 -.0017   .000
B1     .3446   .0856 -.4362 .856 .0102
B2     .0243   .2202   .456 .271 .0102
B2A    .4766   -.034  -.076 .144 .0102
B3     .1851   .2500  -.433  .57 .0102
Si1    .3325   .1243 -.3968 .113 .0102
Si2    .0350   .2500  .4291 .398 .0102
Si3    .2104   .2500 -.3917 .404 .0102
O1    .20521   .2500  .2686      .0167  .0200  .0145  .0155   .000 -.0026   .000
O2    .33513  .11208  .2687      .0151  .0146  .0185  .0121 -.0020  .0003  .0002
O3    .03173   .2500 -.2384      .0147  .0135  .0144  .0164   .000  .0017   .000
O4    .32872 -.14794  .2301      .0158  .0157  .0172  .0144  .0007  .0000  .0025
O5    .40017  .11717 -.2806      .0146  .0139  .0165  .0135 -.0002  .0014  .0000
O6    .46568   .2500  .2054      .0150  .0148  .0143  .0159   .000 -.0037   .000
O7    .46278 -.00783  .2486      .0108  .0095  .0087  .0141  .0019 -.0040 -.0006
O8     .4216  -.1257  -.271 .271 .0099
O8A    .4302   -.109  -.233  .14 .0099
O8B    .4312  -.1486 -.2066 .602 .0099
O9    .30137  .01635 -.2816      .0139  .0149  .0138  .0130 -.0021 -.0015 -.0010
O10   .28769   .2500 -.1984      .0254   .030  .0202   .026   .000  .0048   .000
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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