American Mineralogist Crystal Structure Database

2 matching records for this search.

Niobokupletskite
 
Piilonen P C, Lalonde A E, McDonald A M, Gault R A
Download cm/vol38/CM38_627.pdf
The Canadian Mineralogist 38 (2000) 627-639
Niobokupletskite, a new astrophyllite-group mineral from Mont Saint-Hilaire,
Quebec, Canada: Description and crystal structure
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005648
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)
Mn1  .8511 .2057 .4794  .91 .0106  .0026  .0138  .0163  .0031  .0027  .0067
Na1  .8511 .2057 .4794  .09 .0106  .0026  .0138  .0163  .0031  .0027  .0067
Mn2  .2790 .0680 .4871  .90 .0115  .0038  .0164  .0174  .0039  .0044  .0091
Zn2  .2790 .0680 .4871  .10 .0115  .0038  .0164  .0174  .0039  .0044  .0091
Mn3  .4211 .3512 .4844  .85 .0119  .0043  .0154  .0185  .0035  .0043  .0088
Zn3  .4211 .3512 .4844  .15 .0119  .0043  .0154  .0185  .0035  .0043  .0088
Mn4      0    .5    .5  .33 .0110  .0013  .0131  .0166 -.0004  .0020  .0055
Zn4      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
Si1  .6786 .2745 .2314      .0120  .0068  .0186  .0154  .0060  .0045  .0103
Si2  .8133 .5470 .2526      .0122  .0095  .0136  .0146  .0024  .0023  .0076
Si3  .3765 .6737 .2552      .0133  .0089  .0167  .0149  .0018  .0009  .0084
Si4  .5070 .9296 .2362      .0103  .0049  .0108  .0139  .0018  .0021  .0047
K1a   .097  .278  .995  .41 .0433
K1b   .164 .2754 .9956  .48 .0433
Rb1b  .164 .2754 .9956 .065 .0433
Na      .5     0     0  .45 .0179  .0148  .0200  .0147  .0033 -.0011  .0046
O1    .728 .3194 .3832      .0126  .0028  .0226  .0165  .0073  .0033  .0102
O2    .146 .1600 .3682      .0158  .0134  .0167  .0176  .0045  .0021  .0074
O3    .130 .3931 .5949      .0088
OH4   .295 .4631 .3991      .0134  .0102  .0210  .0146  .0114  .0074  .0084
OH5   .993 .1179 .5944      .0139  .0104  .0133  .0142  .0013  .0067  .0023
O6    .559 .2576 .5915      .0096  .0024  .0161  .0107  .0019  .0024  .0060
O7    .573 .0134 .3865      .0102  .0037  .0074  .0184 -.0011  .0000  .0061
O8    .072 .5915 .2004      .0235  .0184  .0284  .0222  .0036  .0131  .0091
O9    .250  .043 .8260      .0486  .0268  .0597  .0210 -.0337  .0051  .0030
O10   .433 .4144 .7988      .0254  .0215  .0359  .0186  .0116  .0022  .0098
O11   .129  .803 .8297      .0431  .0683  .0595  .0238  .0534  .0022  .0182
O12   .267  .954 .1723      .0498  .0709  .0516  .0185  .0526 -.0189 -.0078
O13   .266 .6062 .8075      .0266  .0508  .0106  .0140  .0077  .0035  .0018
O14   .571 .2206 .8024      .0311  .0568  .0088  .0206 -.0014  .0029  .0058
O15   .385  .197 .1693      .0431  .0308  .0559  .0240 -.0247 -.0056  .0202
O16      0     0     0  .50 .0172  .0076  .0277  .0213  .0096  .0065  .0121
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View JMOL 3-D Structure (permalink)
 
Niobokupletskite
 
Piilonen P C, McDonald A M, Lalonde A E
Download cm/vol41/CM41_27.pdf
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
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Total number of retrieved datasets: 2
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