American Mineralogist Crystal Structure Database

1 matching records for this search.

Niobophyllite
Download hom/niobophyllite.pdf
Camara F, Sokolova E, Abdu Y, Hawthorne F C
 
The Canadian Mineralogist 48 (2010) 1-16
The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich
astrophyllite: Revisions to the crystal chemistry of the
astrophyllite-group minerals
Locality: Seal Lake, Labrador, Canada
_database_code_amcsd 0006309
5.4022 11.8844 11.6717 112.990 94.588 103.166 P-1
atom        x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA      .1382  .2762 .99610 .90  .0562  .0845  .0497  .0269  .0121  .0062  .0132
CsA     .1382  .2762 .99610 .02  .0562  .0845  .0497  .0269  .0121  .0062  .0132
NaB        .5      0      0      .0234   .033   .021   .014  .0063  .0019  .0054
MnM1   .85126 .20540 .47941  .5  .0095  .0076  .0102  .0117  .0025  .0028  .0054
FeM1   .85126 .20540 .47941 .37  .0095  .0076  .0102  .0117  .0025  .0028  .0054
MnM2   .27875 .06798 .48781 .25  .0099  .0091  .0111  .0128  .0042  .0040  .0072
FeM2   .27875 .06798 .48781 .73  .0099  .0091  .0111  .0128  .0042  .0040  .0072
Fe2+M3 .42066 .35128 .48479 .67  .0104  .0086  .0101  .0144  .0039  .0042  .0060
MnM3   .42066 .35128 .48479 .14  .0104  .0086  .0101  .0144  .0039  .0042  .0060
Fe3+M3 .42066 .35128 .48479 .13  .0104  .0086  .0101  .0144  .0039  .0042  .0060
Fe2+M4      0     .5     .5  .5  .0092  .0071  .0067  .0125  .0016  .0013  .0030
Fe3+M4      0     .5     .5  .3  .0092  .0071  .0067  .0125  .0016  .0013  .0030
MnM4        0     .5     .5  .2  .0092  .0071  .0067  .0125  .0016  .0013  .0030
NbD    .07425 .08160 .18633 .73 .00805  .0036  .0078  .0153 .00257 .00271  .0068
TiD    .07425 .08160 .18633 .27 .00805  .0036  .0078  .0153 .00257 .00271  .0068
SiT1    .6786 .27391 .23318 .97  .0087  .0102  .0069  .0094  .0021  .0020  .0040
AlT1    .6786 .27391 .23318 .03  .0087  .0102  .0069  .0094  .0021  .0020  .0040
SiT2    .8148 .54744 .25427 .97  .0124  .0160  .0090  .0117  .0027  .0021  .0043
AlT2    .8148 .54744 .25427 .03  .0124  .0160  .0090  .0117  .0027  .0021  .0043
SiT3    .3796 .67519 .25707 .97  .0117  .0146  .0090  .0125  .0025  .0014  .0062
AlT3    .3796 .67519 .25707 .03  .0117  .0146  .0090  .0125  .0025  .0014  .0062
SiT4    .5066 .93104 .23737 .97  .0082  .0106  .0070  .0082  .0020  .0022  .0047
AlT4    .5066 .93104 .23737 .03  .0082  .0106  .0070  .0082  .0020  .0022  .0047
O1      .7254  .3194  .3853      .0097  .0088  .0098  .0091  .0029  .0026  .0024
O2      .1462  .1597  .3687      .0130  .0130  .0148  .0108  .0046  .0029  .0046
O3      .1275  .3912  .5935      .0115  .0116  .0097  .0117  .0017  .0025  .0038
Oh4     .2995  .4639  .4027      .0136  .0140  .0158  .0126  .0071  .0049  .0057
Oh5     .9912  .1169  .5916      .0135  .0150   .017  .0095  .0076  .0045  .0046
O6      .5581  .2569  .5893      .0128  .0120  .0132  .0141  .0040  .0031  .0065
O7      .5719  .0141  .3899      .0107  .0094  .0143  .0102  .0053  .0021  .0060
O8      .0739  .5905  .2012      .0273   .023   .032   .016  -.006  .0033   .007
O9      .2475  .0423  .8249       .050   .036   .052   .017  -.033   .012  -.007
O10     .4275  .4137  .7999      .0272   .034   .031   .019   .021   .002   .006
O11     .1276  .8053  .8289       .048   .089   .073   .012   .075   .019   .016
O12     .2661  .9570  .1731       .049   .068   .057   .018   .057  -.014  -.005
O13     .2675  .6063  .8062      .0269   .056  .0058   .015   .002   .003  .0046
O14     .5742  .2219  .8023      .0287   .056   .011   .017   .003   .002  .0083
O15     .3848  .1939  .1700      .0468   .030   .068   .015  -.034  -.007   .019
OX          0      0      0 .73  .0112   .008   .013   .014   .004  .0036   .005
OHX         0      0      0 .13  .0112   .008   .013   .014   .004  .0036   .005
FX          0      0      0 .13  .0112   .008   .013   .014   .004  .0036   .005
H1       .269   .422  .3098     .01627
H2      1.021   .155  .6844     .01620
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