American Mineralogist Crystal Structure Database

2 matching records for this search.

Axinite-(Mn)
Download hom/axinitemn.pdf
Andreozzi G B, Lucchesi S, Graziani G, Russo U
Download am/vol89/AM89_1763.pdf
American Mineralogist 89 (2004) 1763-1771
Site distribution of Fe2+ and Fe3+ in axinite mineral group:
New crystal-chemical formula
Sample 47
_database_code_amcsd 0003659
7.1849 9.2152 8.9765 91.761 98.153 77.150 P-1
atom        x      y      z  occ   Uiso
SiT1   .21431 .45019 .23727      .00472
SiT2   .21933 .27500 .52453      .00401
SiT3   .70072 .25369 .01152      .00478
SiT4   .64055 .01901 .23013      .00447
BT5    .46165 .63523 .28647      .00132
CaX1   .74611 .34774 .39587      .00775
CaX2   .18328 .10062 .08379  .95 .00857
MnX2   .18328 .10062 .08379  .05 .00857
MnY    .76934 .58917 .11157 .945 .00797
Fe2+Y  .76934 .58917 .11157 .035 .00797
MgY    .76934 .58917 .11157 .005 .00797
AlY    .76934 .58917 .11157 .015 .00797
AlZ1   .05275 .80181 .25422  .87 .00412
Fe3+Z1 .05275 .80181 .25422  .13 .00412
AlZ2   .35213 .93654 .42153 .975 .00422
Fe3+Z2 .35213 .93654 .42153 .015 .00422
MgZ2   .35213 .93654 .42153 .010 .00422
O1     .05970 .60338 .18974      .00692
O2     .23487 .33740 .10084      .00916
O3     .42142 .48736 .31412      .00673
O4     .13711 .37590 .37345      .00980
O5     .02186 .24271 .56344      .00655
O6     .32635 .37826 .64732      .00614
O7     .38006 .12749 .49598      .00509
O8     .54054 .34368 .87721      .00664
O9     .87760 .15216 .93434      .00660
O10    .77047 .36264 .13966      .00890
O11    .60365 .13357 .08602      .00924
O12    .43632 .98193 .24413      .00651
O13    .71944 .09975 .38340      .00596
O14    .79302 .87344 .17787      .00753
O15    .32625 .74656 .35564      .00531
O16    .09696 .99702 .32332      .00668
H        .001   .951   .627   .9
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Axinite-(Mn)
Download hom/axinitemn.pdf
Belokoneva E L, Pletnev P A, Spiridonov E M
 
Crystallography Reports 42 (1997) 934-937
Crystal structure of low-manganese tinzenite (severginite)
Note: O2 position not included in the paper, so we deduced it from the reported bondlengths
Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia
_database_code_amcsd 0012354
7.162 9.207 8.972 91.84 98.16 77.34 P-1
atom      x      y      z  occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca1  .74636 .34794 .39465 .825 .003654 .001580 .002092 -.000040 -.000366  .000219
Mn1  .74636 .34794 .39465 .175 .003654 .001580 .002092 -.000040 -.000366  .000219
Ca2  .18273 .10074 .08367 .825 .003863 .002076 .001997 -.000764 -.000895  .000470
Mn2  .18273 .10074 .08367 .175 .003863 .002076 .001997 -.000764 -.000895  .000470
Mn   .76769 .59176 .11298  .85 .002401 .002974 .002219 -.000603  .000163  .000564
Mg   .76769 .59176 .11298   .1 .002401 .002974 .002219 -.000603  .000163  .000564
Fe1  .05266 .80046 .25434  .12 .002923 .002045 .001870 -.000080  .000122 -.000251
Al1  .05266 .80046 .25434  .88 .002923 .002045 .001870 -.000080  .000122 -.000251
Al2  .35180 .93610 .42095  .92 .002662 .001797 .001743 -.000201  .000041 -.000313
Fe2  .35180 .93610 .42095  .08 .002662 .001797 .001743 -.000201  .000041 -.000313
Si1  .21046 .45001 .23341      .001722 .000929 .001014 -.000161 -.000122 -.000063
Si2  .21906 .27451 .52291      .001201 .000867 .000919 -.000121  .000000 -.000094
Si3  .69890 .25686 .01140      .001827 .001146 .000824  .000000  .000203  .000063
Si4  .64166 .01895 .23042      .001253 .001208 .000856 -.000161  .000122 -.000125
B     .4621 .63453 .28681      .001879 .001208 .001204 -.000161  .000285  .000000
O1    .0528  .6028  .1908      .002401 .001053 .002060  .000080 -.000203  .000000
O2    .2317  .3398  .0940      .004593 .001859 .001807 -.000563  .000447 -.000721
O3    .4190  .4870 .31161      .002192 .001084 .002472 -.000523 -.000244  .000188
O4    .1363  .3714  .3690      .003288 .003470 .002029 -.001166 -.000285  .001441
O5    .0215  .2424  .5638      .001722 .002416 .001363 -.000523  .000244  .000000
O6    .3260  .3801  .6449      .001670 .001363 .001997 -.000442 -.000122 -.000345
O7    .3808  .1273  .4960      .001775 .001115 .001775  .000080  .000000 -.000439
O8    .5345  .3434  .8772      .002610 .001952 .001014  .000161  .000244  .000125
O9    .8761  .1557  .9333      .002140 .001549 .001300  .000000  .000488  .000063
O10   .7680  .3685  .1382      .004071 .002262 .001775 -.000724  .000000 -.000721
O11   .6047 .13452  .0873      .003967 .002478 .001775 -.000925  .000244  .001097
O12   .4362  .9818  .2436      .001775 .002324 .001363 -.000483  .000122 -.000219
O13   .7211  .0996  .3847      .002610 .001921 .001014 -.000684  .000163 -.000313
O14   .7936  .8735  .1779      .001983 .001983 .001712  .000362  .000122 -.000470
O15   .3255  .7463  .3544      .001670 .001239 .001458 -.000040  .000244 -.000439
OH16  .0960  .9956  .3225      .001931 .001394 .001648  .000000  .000081 -.000219
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Total number of retrieved datasets: 2
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