American Mineralogist Crystal Structure Database

9 matching records for this search.

Astrophyllite
Download hom/astrophyllite.pdf
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
Note: sample LAB3, peralkaline nepheline gneiss
Locality: Seal Lake, Labrador, Canada
_database_code_amcsd 0005802
5.4049 11.9175 11.7488 112.93 94.627 103.139 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)
Fe(1)  .8501 .20583 .47990 .876 .0140  .0130  .0125  .0175  .0040  .0039  .0069
Na(1)  .8501 .20583 .47990 .124 .0140  .0130  .0125  .0175  .0040  .0039  .0069
Fe(2)  .2806 .06789 .48911 .956 .0150  .0138  .0143  .0189  .0050  .0046  .0082
Fe(3)  .4227 .35217 .48551 .944 .0149  .0134  .0137  .0196  .0049  .0047  .0081
Fe(4)      0     .5     .5 .436 .0137  .0122  .0118  .0171  .0031  .0029  .0061
Mg(4)      0     .5     .5 .064 .0137  .0122  .0118  .0171  .0031  .0029  .0061
Ti    .07953 .08683 .19795 .575 .0136  .0107  .0132  .0180  .0039  .0031  .0073
Zr    .07953 .08683 .19795 .425 .0136  .0107  .0132  .0180  .0039  .0031  .0073
Si(1)  .6785 .27350  .2323      .0150  .0171  .0115  .0151  .0035  .0024  .0048
Si(2)  .8143 .54736  .2549      .0154  .0164  .0128  .0174  .0039  .0025  .0069
Si(3)  .3785 .67503 .25728      .0150  .0155  .0132  .0173  .0043  .0025  .0073
Si(4)  .5065 .93127  .2366      .0145  .0164  .0133  .0143  .0040  .0027  .0066
K      .1338  .2666  .9958 .949 .0616  .0925  .0504  .0341  .0129  .0071  .0147
Na        .5      0      0 .379 .0233  .0307  .0196  .0176  .0057  .0043  .0066
Ca        .5      0      0 .121 .0233  .0307  .0196  .0176  .0057  .0043  .0066
O(1)   .7272  .3188  .3842      .0156  .0157  .0164  .0151  .0046  .0035  .0069
O(2)   .1486  .1623  .3746      .0191  .0155  .0196  .0212  .0049  .0016  .0079
O(3)   .1272  .3917  .5930      .0161  .0149  .0175  .0163  .0049  .0030  .0072
OH(4)  .2986  .4631  .4016      .0180  .0158  .0162  .0213  .0037  .0036  .0074
OH(5)  .9892  .1164  .5922      .0183  .0189  .0168  .0203  .0051  .0045  .0088
O(6)   .5602  .2574  .5896      .0170  .0153  .0187  .0169  .0051  .0027  .0070
O(7)   .5728  .0145  .3890      .0155  .0143  .0146  .0167  .0028  .0023  .0064
O(8)   .0740  .5912  .2030      .0264  .0222  .0289  .0225  .0003  .0050  .0087
O(9)   .2493  .0416  .8262      .0497  .0391  .0497  .0245 -.0242  .0168 -.0029
O(10)  .4276  .4132  .7968      .0271  .0272  .0342  .0229  .0163  .0037  .0112
O(11)  .1287  .8057  .8302      .0495  .0819  .0678  .0257  .0634  .0212  .0217
O(12)  .2664  .9566  .1723      .0480  .0646  .0460  .0268  .0429 -.0116 -.0008
O(13) .26754  .6050  .8046      .0336  .0638  .0141  .0215  .0056  .0039  .0100
O(14)  .5727  .2208  .8003      .0353  .0646  .0145  .0225  .0030  .0045  .0086
O(15)  .3873  .1927  .1686      .0472  .0289  .0636  .0244 -.0274 -.0070  .0178
F(16)      0      0      0  .50 .0214  .0227  .0213  .0211  .0069  .0040  .0095
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Astrophyllite
Download hom/astrophyllite.pdf
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
Note: sample NOR1, nepheline syenite pegmatite
Locality: Langesundsfjord area, Oslo Rift Valley, Norway
_database_code_amcsd 0005803
5.3857 11.9072 11.7105 113.062 94.614 103.098 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) .8499 .20611 .47983 .887 .0093  .0080  .0086  .0116  .0020  .0021  .0047
Na(1) .8499 .20611 .47983 .113 .0093  .0080  .0086  .0116  .0020  .0021  .0047
Fe(2) .2806 .06742 .48877 .955 .0104  .0090  .0099  .0141  .0031  .0035  .0063
Fe(3) .4228 .35251 .48585 .936 .0106  .0088  .0102  .0144  .0028  .0032  .0064
Fe(4)     0     .5     .5 .425 .0092  .0077  .0075  .0116  .0014  .0012  .0038
Mg(4)     0     .5     .5 .075 .0092  .0077  .0075  .0116  .0014  .0012  .0038
Ti    .0791 .08609 .19716 .822 .0075  .0050  .0069  .0112  .0016  .0018  .0044
Nb    .0791 .08609 .19716 .178 .0075  .0050  .0069  .0112  .0016  .0018  .0044
Si(1) .6782  .2724  .2324      .0094  .0101  .0080  .0101  .0016  .0012  .0043
Si(2) .8140  .5464  .2539      .0102  .0115  .0071  .0118  .0022  .0015  .0043
Si(3) .3797  .6749  .2565      .0102  .0113  .0086  .0112  .0023  .0017  .0052
Si(4) .5069  .9317  .2361      .0084  .0098  .0069  .0085  .0017  .0010  .0036
K     .1373  .2731  .9966 .914 .0559  .0612  .0727  .0249  .0174  .0054  .0128
Rb    .1373  .2731  .9966 .086 .0559  .0612  .0727  .0249  .0174  .0054  .0128
Na       .5      0      0 .321 .0187  .0264  .0154  .0108  .0029  .0015  .0039
Ca       .5      0      0 .179 .0187  .0264  .0154  .0108  .0029  .0015  .0039
O(1)  .7260  .3195  .3847      .0102  .0092  .0103  .0090  .0028  .0031  .0017
O(2)  .1491  .1607  .3706      .0110  .0094  .0112  .0101  .0025  .0012  .0025
O(3)  .1273  .3925  .5936      .0117  .0105  .0127  .0100  .0009  .0004  .0042
OH(4) .2961  .4628  .3999      .0124  .0134  .0093  .0144  .0040  .0019  .0047
OH(5) .9904  .1174  .5927      .0148  .0174  .0128  .0133  .0019  .0031  .0058
O(6)  .5569  .2571  .5901      .0110  .0121  .0100  .0086  .0020  .0005  .0026
O(7)  .5732  .0146  .3884      .0105  .0091  .0131  .0104  .0036  .0016  .0057
O(8)  .0756  .5906  .2014      .0190  .0132  .0224  .0160 -.0013  .0039  .0059
O(9)  .2472  .0403  .8266      .0330  .0245  .0346  .0152 -.0181  .0072 -.0009
O(10) .4282  .4143  .7989      .0201  .0267  .0191  .0136  .0098  .0012  .0046
O(11) .1280  .8077  .8305      .0337  .0554  .0471  .0170  .0430  .0135  .0155
O(12) .2653  .9572  .1713      .0311  .0425  .0323  .0139  .0293 -.0096 -.0023
O(13) .2669  .6073  .8061      .0234  .0465  .0057  .0129  .0015  .0009  .0030
O(14) .5725  .2205  .8016      .0239  .0403  .0134  .0171  .0029  .0027  .0086
O(15) .3830  .1918  .1683      .0331  .0206  .0475  .0168 -.0215 -.0055  .0176
F(16)     0      0      0  .50 .0173  .0231  .0170  .0118  .0053  .0015  .0065
H(1)    .33   .379   .359        .04
H(2)   1.01   .152  .6851        .04
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Astrophyllite
Download hom/astrophyllite.pdf
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: RUS4, nepheline syenite pegmatite
Locality: Khibina massif, Kola Peninsula, Russia
_database_code_amcsd 0005805
5.3776 11.899 11.662 113.114 94.630 103.090 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) .8492  .2063 .4801  .91 .0116  .0092  .0108  .0166  .0038  .0034  .0068
Na(1) .8492  .2063 .4801  .09 .0116  .0092  .0108  .0166  .0038  .0034  .0068
Fe(2) .2806 .06751 .4890 .958 .0120  .0096  .0126  .0167  .0046  .0049  .0079
Fe(3) .4233  .3531 .4863  .86 .0124  .0102  .0114  .0192  .0048  .0048  .0087
Mg(3) .4233  .3531 .4863  .14 .0124  .0102  .0114  .0192  .0048  .0048  .0087
Fe(4)     0     .5    .5 .392 .0106  .0084  .0101  .0143  .0036  .0023  .0056
Mg(4)     0     .5    .5 .108 .0106  .0084  .0101  .0143  .0036  .0023  .0056
Ti    .0796  .0868 .1989 .965 .0087  .0054  .0095  .0137  .0038  .0030  .0064
Nb    .0796  .0868 .1989 .035 .0087  .0054  .0095  .0137  .0038  .0030  .0064
Si(1) .6778  .2723 .2322      .0104  .0119  .0074  .0121  .0031  .0031  .0042
Si(2) .8140  .5459 .2531      .0121  .0112  .0090  .0168  .0037  .0020  .0058
Si(3) .3797  .6749 .2559      .0118  .0126  .0110  .0144  .0046  .0032  .0070
Si(4) .5066  .9317 .2356      .0104  .0125  .0102  .0113  .0045  .0034  .0065
K     .1345  .2674 .9961  .92 .0463  .0654  .0409  .0287  .0124  .0068  .0125
Na    .1345  .2674 .9961  .08 .0463  .0654  .0409  .0287  .0124  .0068  .0125
Na       .5      0     0  .28 .0172  .0234  .0181  .0122  .0067  .0027  .0081
Ca       .5      0     0  .22 .0172  .0234  .0181  .0122  .0067  .0027  .0081
O(1)  .7252  .3185 .3840      .0124  .0181  .0060  .0085  .0002 -.0013  .0007
O(2)  .1472  .1605 .3705      .0141  .0172  .0108  .0133  .0032  .0005  .0047
O(3)  .1291  .3924 .5924      .0148  .0127  .0171  .0162  .0053  .0057  .0075
OH(4) .2980  .4628 .4012      .0167  .0211  .0167  .0144  .0058  .0039  .0085
OH(5) .9910  .1167 .5922      .0145  .0169  .0115  .0095  .0024  .0016      0
O(6)  .5560  .2576 .5903      .0117  .0134  .0115  .0113  .0025  .0032  .0064
O(7)  .5706  .0147 .3890      .0153  .0143  .0184  .0169  .0069  .0048  .0095
O(8)  .0744  .5897 .2004      .0234  .0215  .0255  .0113 -.0045  .0017  .0022
O(9)  .2465  .0399 .8278      .0323  .0289  .0317  .0116 -.0154  .0032 -.0029
O(10) .4265  .4137 .7996      .0230  .0280  .0247  .0147  .0130 -.0011  .0047
O(11) .1306  .8087 .8311      .0321  .0533  .0382  .0176  .0377  .0082  .0111
O(12) .2637  .9566 .1695      .0309  .0415  .0311  .0216  .0284 -.0059  .0050
O(13) .2686  .6071 .8076      .0244  .0429  .0094  .0231  .0022  .0069  .0116
O(14) .5757  .2210 .8026      .0288  .0475  .0190  .0253  .0091  .0098  .0146
O(15) .3813  .1899 .1670      .0352  .0209  .0434  .0305 -.0166  .0009  .0196
F(16)     0      0     0  .50 .0170  .0196  .0230  .0089  .0062  .0022  .0072
H(1)    .25    .44  .309      .0840
H(2)   1.08    .16  .681      .0658
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Astrophyllite
Download hom/astrophyllite.pdf
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: RUS8, nepheline syenite pegmatite
Locality: Khibina massif, Kola Peninsula, Russia
_database_code_amcsd 0005806
5.3754 11.8970 11.6634 113.133 94.638 103.081 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) .84960 .20628 .47984 .900 .0093  .0076  .0092  .0122  .0028  .0027  .0051
Na(1) .84960 .20628 .47984 .100 .0093  .0076  .0092  .0122  .0028  .0027  .0051
Fe(2) .28050 .06758 .48885 .946 .0097  .0077  .0101  .0128  .0032  .0035  .0059
Fe(3) .42326 .35296 .48618 .847 .0097  .0079  .0097  .0134  .0036  .0036  .0059
Mg(3) .42326 .35296 .48618 .153 .0097  .0079  .0097  .0134  .0036  .0036  .0059
Fe(4)      0     .5     .5 .385 .0087  .0068  .0078  .0115  .0023  .0017  .0041
Mg(4)      0     .5     .5 .115 .0087  .0068  .0078  .0115  .0023  .0017  .0041
Ti     .0801 .08710 .19911 .958 .0075  .0054  .0086  .0086  .0022  .0014  .0037
Zr     .0801 .08710 .19911 .042 .0075  .0054  .0086  .0086  .0022  .0014  .0037
Si(1)  .6780 .27199 .23169      .0083  .0081  .0073  .0092  .0017  .0013  .0034
Si(2)  .8139 .54579 .25301      .0092  .0084  .0081  .0114  .0022  .0020  .0045
Si(3)  .3798 .67496 .25557      .0093  .0089  .0088  .0108  .0025  .0019  .0048
Si(4)  .5068 .93187 .23565      .0082  .0088  .0082  .0083  .0025  .0017  .0040
K      .1338  .2657 .99575  .90 .0442  .0633  .0378  .0251  .0094  .0043  .0105
Na     .1338  .2657 .99575  .10 .0442  .0633  .0378  .0251  .0094  .0043  .0105
Na        .5      0      0 .291 .0132  .0183  .0126  .0075  .0042  .0019  .0034
Ca        .5      0      0 .209 .0132  .0183  .0126  .0075  .0042  .0019  .0034
O(1)   .7264  .3194  .3849      .0110  .0105  .0121  .0095  .0027  .0021  .0040
O(2)   .1480  .1603  .3698      .0120  .0124  .0129  .0100  .0033  .0015  .0045
O(3)   .1286  .3929  .5936      .0113  .0105  .0123  .0117  .0031  .0017  .0059
OH(4)  .2974  .4619  .3998      .0128  .0110  .0126  .0153  .0039  .0027  .0060
OH(5)  .9910  .1170  .5929      .0135  .0124  .0127  .0148  .0033  .0031  .0052
O(6)   .5561  .2576  .5899      .0110  .0110  .0106  .0113  .0029  .0017  .0048
O(7)   .5728 .01493  .3890      .0109  .0119  .0123  .0085  .0039  .0021  .0041
O(8)   .0743  .5904  .2008      .0212  .0154  .0270  .0149 -.0025  .0041  .0067
O(9)   .2474  .0410  .8284      .0302  .0218  .0309  .0161 -.0141  .0092 -.0015
O(10)  .4275  .4146  .8003      .0211  .0235  .0267  .0158  .0173  .0029  .0064
O(11)  .1283  .8085  .8314      .0297  .0469  .0426  .0166  .0391  .0132  .0139
O(12)  .2644  .9569  .1702      .0290  .0369  .0296  .0169  .0264 -.0070 -.0007
O(13)  .2673  .6080  .8069      .0223  .0418  .0090  .0140  .0028  .0037  .0055
O(14)  .5718  .2208  .8025      .0231  .0437  .0104  .0160  .0044  .0055  .0081
O(15)  .3824  .1901  .1667      .0298  .0164  .0435  .0165 -.0164 -.0043  .0145
F(16)      0      0      0  .50 .0137  .0166  .0142  .0093  .0043  .0019  .0041
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Astrophyllite
Download hom/astrophyllite.pdf
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
Note: sample US5
Locality: granitic pegmatite at Mount Rosa, Pikes Peak, Colorado, USA
_database_code_amcsd 0005809
5.3627 11.851 11.668 113.040 94.523 103.093 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)
Fe(1) .8493  .2055 .4801 .891 .0103  .0095  .0089  .0130  .0018  .0029  .0053
Na(1) .8493  .2055 .4801 .109 .0103  .0095  .0089  .0130  .0018  .0029  .0053
Fe(2) .2801 .06747 .4893      .0118  .0104  .0111  .0152  .0023  .0040  .0069
Fe(3) .4226 .35234 .4862      .0105  .0086  .0096  .0146  .0029  .0043  .0057
Fe(4)     0     .5    .5  .50 .0094  .0067  .0075  .0126  .0017  .0029  .0027
Ti    .0786 .08633 .1981 .769 .0095  .0067  .0074  .0148  .0010  .0028  .0054
Nb    .0786 .08633 .1981 .231 .0095  .0067  .0074  .0148  .0010  .0028  .0054
Si(1) .6771  .2719 .2330      .0125  .0130  .0122  .0125  .0038  .0028  .0054
Si(2) .8154  .5468 .2546      .0118  .0110  .0093  .0137  .0025  .0029  .0034
Si(3) .3807  .6757 .2573      .0118  .0128  .0111  .0123  .0028  .0019  .0063
Si(4) .5081  .9337 .2371      .0113  .0119  .0102  .0122  .0022  .0020  .0059
K     .1315  .2640 .9962 .929 .0640  .0878  .0652  .0266  .0145  .0044  .0117
Rb    .1315  .2640 .9962 .071 .0640  .0878  .0652  .0266  .0145  .0044  .0117
Na       .5      0     0 .479 .0209  .0351  .0135  .0126  .0037  .0023  .0059
O(1)  .7254  .3180 .3857      .0107  .0120  .0074  .0138 -.0004  .0009  .0077
O(2)  .1471  .1615 .3730      .0119  .0114  .0090  .0155 -.0003  .0007  .0074
O(3)  .1265  .3910 .5928      .0108  .0084  .0102  .0158  .0034  .0035  .0067
OH(4) .2982  .4625 .4010      .0115  .0157  .0071  .0140  .0035  .0022  .0065
OH(5) .9901  .1162 .5911      .0137  .0143  .0141  .0127  .0053  .0023  .0049
O(6)  .5599  .2581 .5908      .0109  .0085  .0113  .0104  .0005 -.0009  .0038
O(7)  .5733  .0165 .3898      .0117  .0110  .0115  .0095  .0001 -.0013  .0035
O(8)  .0774  .5903 .2016      .0214  .0161  .0226  .0174 -.0005  .0025  .0035
O(9)  .2452  .0410 .8252      .0447  .0345  .0445  .0139 -.0272  .0126 -.0103
O(10) .4263  .4128 .7979      .0226  .0197  .0258  .0198  .0054 -.0021  .0086
O(11) .1250  .8066 .8287      .0482  .0771  .0711  .0232  .0670  .0226  .0196
O(12) .2634  .9584 .1735      .0446  .0686  .0402  .0163  .0371 -.0205 -.0036
O(13) .2687  .6064 .8039      .0279  .0556  .0081  .0163  .0011  .0029  .0062
O(14) .5736  .2201 .7995      .0323  .0595  .0108  .0269  .0001  .0049  .0143
O(15) .3823  .1921 .1705      .0462  .0277  .0694  .0177 -.0321 -.0060  .0209
F(16)     0      0     0  .50 .0180  .0187  .0191  .0158  .0045  .0006  .0079
H(1)    .27   .416  .309      .0406
H(1)    .03   .143  .683      .0343
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Astrophyllite
Download hom/astrophyllite.pdf
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: MSH33a
Locality: aplite/pegmatite at Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005818
5.418 11.933 11.742 112.962 94.620 103.123 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) .8500 .20625 .48069 1.001 .0121  .0081  .0127  .0168  .0035  .0034  .0070
Fe(2) .2807 .06813 .48939  .960 .0124  .0092  .0127  .0168  .0035  .0045  .0069
Fe(3) .4231 .35255 .48621  .954 .0127  .0101  .0123  .0179  .0045  .0051  .0073
Fe(4)     0     .5     .5  .438 .0104  .0077  .0088  .0142  .0019  .0017  .0045
Mg(4)     0     .5     .5  .062 .0104  .0077  .0088  .0142  .0019  .0017  .0045
Ti    .0787 .08663 .19725  .462 .0110  .0064  .0113  .0168  .0029  .0033  .0069
Zr    .0787 .08663 .19725  .538 .0110  .0064  .0113  .0168  .0029  .0033  .0069
Si(1) .6784  .2739  .2325       .0111  .0119  .0072  .0130  .0012  .0031  .0040
Si(2) .8140  .5474  .2543       .0127  .0118  .0119  .0153  .0034  .0020  .0068
Si(3) .3778  .6744  .2564       .0130  .0115  .0130  .0164  .0043  .0033  .0074
Si(4) .5059  .9305  .2363       .0117  .0109  .0107  .0129  .0017  .0026  .0051
K     .1360  .2704  .9956   .87 .0585  .0867  .0512  .0301  .0130  .0069  .0137
Na    .1360  .2704  .9956   .13 .0417  .0517  .0434  .0247  .0102  .0047  .0113
Na       .5      0      0   .36 .0166  .0241  .0128  .0112  .0037  .0031  .0041
Ca       .5      0      0   .14 .0166  .0241  .0128  .0112  .0037  .0031  .0041
O(1)  .7260  .3186  .3842       .0130  .0104  .0149  .0121  .0039  .0026  .0038
O(2)  .1467  .1626  .3756       .0151  .0065  .0185  .0199  .0044  .0025  .0072
O(3)  .1275  .3918  .5926       .0135  .0083  .0145  .0144  .0018  .0037  .0033
OH(4) .2995  .4637  .4027       .0160  .0147  .0104  .0152  .0013  .0016 -.0011
OH(5) .9921  .1170  .5934       .0160  .0173  .0178  .0178  .0072  .0018  .0115
O(6)  .5611  .2578  .5888       .0133  .0109  .0115  .0156  .0028  .0035  .0037
O(7)  .5721  .0136  .3879       .0129  .0112  .0118  .0154  .0043  .0022  .0048
O(8)  .0718  .5908  .2021       .0269  .0195  .0305  .0203 -.0036  .0049  .0055
O(9)  .2513  .0419  .8271       .0447  .0288  .0503  .0199 -.0216  .0153 -.0053
O(10) .4292  .4142  .7977       .0274  .0310  .0339  .0177  .0179  .0025  .0067
O(11) .1318  .8058  .8311       .0461  .0776  .0680  .0235  .0644  .0242  .0238
O(12) .2672  .9570  .1727       .0463  .0584  .0450  .0227  .0387 -.0173 -.0073
O(13) .2656  .6056  .8045       .0314  .0575  .0140  .0203  .0013  .0072  .0095
O(14) .5728  .2208  .8008       .0347  .0581  .0213  .0229  .0061  .0070  .0104
O(15) .3863  .1933  .1680       .0431  .0329  .0503  .0244 -.0264 -.0062  .0166
F(16)     0      0      0   .50 .0190  .0172  .0219  .0193  .0076  .0030  .0089
H(1)    .20   .407   .318       .0150
H(2)   .868   .139   .546       .0150
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Astrophyllite
Download hom/astrophyllite.pdf
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: MSH34a
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005819
5.3996 11.9152 11.7077 113.0413 94.5707 103.1239 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) .84970 .20633 .48079 .997 .0120  .0105  .0110  .0156  .0038  .0032  .0062
Fe(2) .28090 .06816 .48966 .970 .0121  .0106  .0115  .0160  .0042  .0040  .0068
Fe(3) .42292 .35267 .48662 .962 .0122  .0110  .0113  .0164  .0046  .0042  .0068
Fe(4)      0     .5     .5 .461 .0111  .0099  .0095  .0141  .0035  .0020  .0047
Mg(4)      0     .5     .5 .039 .0111  .0099  .0095  .0141  .0035  .0020  .0047
Ti    .07884 .08690 .19810 .621 .0105  .0080  .0103  .0145  .0036  .0027  .0059
Zr    .07884 .08690 .19810 .379 .0105  .0080  .0103  .0145  .0036  .0027  .0059
Si(1)  .6780 .27320 .23265      .0117  .0131  .0093  .0116  .0030  .0018  .0036
Si(2)  .8147 .54699 .25422      .0119  .0125  .0101  .0137  .0036  .0023  .0053
Si(3)  .3791 .67501 .25657      .0119  .0124  .0106  .0142  .0038  .0026  .0064
Si(4)  .5064 .93177 .23693      .0114  .0132  .0104  .0113  .0037  .0024  .0052
K      .1355  .2694  .9956  .89 .0565  .0849  .0480  .0292  .0129  .0056  .0127
Na     .1355  .2694  .9956  .11 .0565  .0849  .0480  .0292  .0129  .0056  .0127
Na        .5      0      0 .374 .0180  .0265  .0153  .0102  .0043  .0013  .0046
Ca        .5      0      0 .126 .0180  .0265  .0153  .0102  .0043  .0013  .0046
O(1)   .7255  .3183  .3847      .0125  .0143  .0114  .0114  .0040  .0024  .0042
O(2)   .1469  .1626  .3745      .0156  .0140  .0137  .0185  .0030  .0017  .0068
O(3)   .1268  .3913  .5927      .0126  .0140  .0115  .0127  .0042  .0022  .0052
OH(4)  .2986  .4623  .4016      .0150  .0167  .0140  .0134  .0047  .0022  .0048
OH(5)  .9891  .1160  .5910      .0159  .0165  .0152  .0166  .0051  .0031  .0070
O(6)   .5588  .2570  .5893      .0134  .0133  .0133  .0142  .0039  .0029  .0061
O(7)   .5729  .0154  .3895      .0126  .0154  .0119  .0114  .0050  .0021  .0053
O(8)   .0746  .5902  .2014      .0255  .0201  .0328  .0170 -.0008  .0047  .0080
O(9)   .2485  .0411  .8267      .0436  .0352  .0451  .0183 -.0212  .0129 -.0029
O(10)  .4258  .4130  .7985      .0267  .0298  .0340  .0202  .0201  .0034  .0094
O(11)  .1293  .8059  .8305      .0444  .0762  .0623  .0211  .0616  .0201  .0195
O(12)  .2656  .9573  .1719      .0430  .0612  .0419  .0188  .0408 -.0125 -.0048
O(13)  .2676  .6066  .8049      .0313  .0613  .0121  .0177  .0048  .0028  .0073
O(14)  .5735  .2199  .8007      .0327  .0654  .0120  .0179  .0048  .0047  .0074
O(15)  .3850  .1927  .1688      .0424  .0286  .0593  .0201 -.0231 -.0060  .0187
F(16)      0      0      0  .50 .0183  .0194  .0179  .0165  .0055  .0021  .0063
H(1)     .23   .413   .311      .0705
H(2)    1.03   .151  .6835      .0719
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Astrophyllite
Download hom/astrophyllite.pdf
Sokolova E, Camara F
 
European Journal of Mineralogy 20 (2008) 253-260
Re-investigation of the crystal structure of magnesium astrophyllite
Locality: Mt. Yukspor, Khibina alkaline massif, Kola Peninsula, Russia
_database_code_amcsd 0007257
5.3327 23.1535 10.3775 90 99.615 90 C2/m
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       .5 .13847     .5  .98 .0267  .0307  .0268  .0226      0  .0045      0
BaA      .5 .13847     .5 .005 .0267  .0307  .0268  .0226      0  .0045      0
NaB       0      0     .5  .65 .0103  .0136  .0099  .0064      0 -.0015      0
CaB       0      0     .5  .14 .0103  .0136  .0099  .0064      0 -.0015      0
NaM1      0      0      0      .0129  .0079  .0127  .0175      0  .0005      0
FeM2     .5 .07440      0 .625 .0093  .0052  .0100  .0125      0  .0009      0
MnM2     .5 .07440      0 .375 .0093  .0052  .0100  .0125      0  .0009      0
FeM3      0 .14505      0  .60 .0091  .0057  .0097  .0120      0  .0022      0
MgM3      0 .14505      0  .40 .0091  .0057  .0097  .0120      0  .0022      0
MgM4     .5 .21399      0 .625 .0098  .0061  .0106  .0128      0  .0019      0
FeM4     .5 .21399      0 .375 .0098  .0061  .0106  .0128      0  .0019      0
TiD  .43702      0 .28713 .985 .0064  .0024  .0079  .0091      0  .0019      0
NbD  .43702      0 .28713 .015 .0064  .0024  .0079  .0091      0  .0019      0
SiT1 .07901 .21773 .73587      .0073  .0048  .0081  .0092  .0000  .0015 -.0002
SiT2 .07573 .08555 .72932      .0076  .0052  .0080  .0099 -.0003  .0017 -.0002
O1    .4035      0  .1178      .0107  .0082  .0137  .0103      0  .0024      0
O2    .1393 .08202  .8868      .0109  .0094  .0134  .0098  .0002  .0015 -.0002
O3    .2982 .05764  .6609      .0152  .0122  .0200  .0140  .0079  .0045  .0024
O4    .1966 .05755  .3287      .0170  .0115  .0227  .0162  .0090  .0006 -.0033
O5    .0537 .15325  .6769      .0161  .0252  .0091  .0132 -.0001  .0013 -.0001
O6    .1298 .21770  .8930      .0096  .0069  .0122  .0100  .0008  .0018 -.0005
O7    .8141 .74859  .6781      .0139  .0094  .0201  .0126 -.0055  .0031 -.0002
Oh8   .3656 .14762  .1030      .0115  .0094  .0133  .0115 -.0006  .0013  .0004
H      .386   .142   .191      .0138
F        .5      0     .5  .17  .009
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Astrophyllite
Download hom/astrophyllite.pdf
Woodrow P J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=22&spage=673
Acta Crystallographica 22 (1967) 673-678
The crystal structure of astrophyllite
Locality: El Paso County, Colorado, USA
_database_code_amcsd 0009310
5.36 11.76 21.07999 85.13 90. 103.22 A-1
atom    x    y    z occ  Biso
K1    .40 .235 .002  .9 3.145
NaK1  .40 .235 .002  .1 3.145
Na      0   .5    0     2.713
Fe1   .14 .034 .260  .9  .531
Mn1   .14 .034 .260  .1  .531
Fe2   .71 .176 .256  .9  .773
Mn2   .71 .176 .256  .1  .773
Fe3   .57 .891 .257  .9  .766
Mn3   .57 .891 .257  .1  .766
Fe4     0  .75  .25  .9  .952
Mn4     0  .75  .25  .1  .952
Ti1   .51 .488 .097  .8  .204
NbTi1 .51 .488 .097  .1  .204
ZrTi1 .51 .488 .097 .05  .204
SnTi1 .51 .488 .097 .05  .204
Si1   .81 .049 .130     1.931
Si2   .98 .314 .118     1.807
Si3   .09 .654 .115     1.779
Si4   .24 .920 .128     1.952
O1    .81 .037 .202     2.422
O2    .38 .178 .204     2.376
O3    .95 .321 .193     2.475
O4    .53 .474 .187     2.402
O5    .10 .624 .194     2.399
O6    .67 .765 .201     2.366
O7    .24 .907 .203     2.408
O8    .88 .179 .099     2.464
O9    .27 .356 .085     2.462
O10   .79 .390 .086     2.370
O11   .29 .593 .083     2.500
O12   .80 .622 .085     2.453
O13   .19 .801 .098     2.473
O14   .52 .994 .103     2.346
O15   .03 .985 .099     2.413
O16    .5   .5    0     2.535
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Total number of retrieved datasets: 9
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