Niobokupletskite
Piilonen P C, McDonald A M, Lalonde A E
The Canadian Mineralogist 41 (2003) 27-54
Insights into astrophyllite-group minerals II: Crystal chemistry
Sample: MSH42
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005821
5.4303 11.924 11.747 112.927 94.750 103.175 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)
Mn(1)  .8511 .2057 .4794  .91 .0106  .0026  .0138  .0163  .0031  .0027  .0067
Na     .8511 .2057 .4794  .09 .0106  .0026  .0138  .0163  .0031  .0027  .0067
Mn(2)  .2790 .0680 .4871  .90 .0115  .0038  .0164  .0174  .0039  .0044  .0091
Zn(2)  .2790 .0680 .4871  .10 .0115  .0038  .0164  .0174  .0039  .0044  .0091
Mn(3)  .4211 .3512 .4844  .85 .0119  .0043  .0154  .0185  .0035  .0043  .0088
Zn(3)  .4211 .3512 .4844  .15 .0119  .0043  .0154  .0185  .0035  .0043  .0088
Mn(4)      0    .5    .5  .33 .0110  .0013  .0131  .0166 -.0004  .0020  .0055
Zn(4)      0    .5    .5  .17 .0110  .0013  .0131  .0166 -.0004  .0020  .0055
Nb     .0749 .0818 .1865  .90 .0100  .0004  .0133  .0178  .0026  .0037  .0077
Ti     .0749 .0818 .1865  .10 .0100  .0004  .0133  .0178  .0026  .0037  .0077
Si(1)  .6786 .2745 .2314      .0120  .0068  .0186  .0154  .0060  .0045  .0103
Si(2)  .8133 .5470 .2526      .0122  .0095  .0136  .0146  .0024  .0023  .0076
Si(3)  .3765 .6737 .2552      .0133  .0089  .0167  .0149  .0018  .0009  .0084
Si(4)  .5070 .9296 .2362      .0103  .0049  .0108  .0139  .0018  .0021  .0047
K(1a)   .097  .278  .995  .41 .0433
K(1b)   .164 .2754 .9956  .48 .0433
Rb(1b)  .164 .2754 .9956 .065 .0433
Na        .5     0     0  .45 .0179  .0148  .0200  .0147  .0033 -.0011  .0046
O(1)    .728 .3194 .3832      .0126  .0028  .0226  .0165  .0073  .0033  .0102
O(2)    .146 .1600 .3682      .0158  .0134  .0167  .0176  .0045  .0021  .0074
O(3)    .130 .3931 .5949      .0088
OH(4)   .295 .4631 .3991      .0134  .0102  .0210  .0146  .0114  .0074  .0084
OH(5)   .993 .1179 .5944      .0139  .0104  .0133  .0142  .0013  .0067  .0023
O(6)    .559 .2576 .5915      .0096  .0024  .0161  .0107  .0019  .0024  .0060
O(7)    .573 .0134 .3865      .0102  .0037  .0074  .0184 -.0011      0  .0061
O(8)    .072 .5915 .2004      .0235  .0184  .0284  .0222  .0036  .0131  .0091
O(9)    .250  .043 .8260      .0486  .0268  .0597  .0210 -.0337  .0051  .0030
O(10)   .433 .4144 .7988      .0254  .0215  .0359  .0186  .0116  .0022  .0098
O(11)   .129  .803 .8297      .0434  .0683  .0595  .0238  .0534  .0022  .0182
O(12)   .267  .954 .1723      .0498  .0709  .0516  .0185  .0526 -.0189 -.0078
O(13)   .266 .6062 .8075      .0266  .0508  .0106  .0140  .0077  .0035  .0018
O(14)   .571 .2206 .8024      .0311  .0568  .0088  .0206 -.0014  .0029  .0058
O(15)   .385  .197 .1693      .0431  .0308  .0559  .0240 -.0247 -.0056  .0202
O(16)      0     0     0  .50 .0172  .0076  .0277  .0213  .0096  .0065  .0121