American Mineralogist Crystal Structure Database

2 matching records for this search.

Agrellite
Download hom/agrellite.pdf
Ghose S, Wan C
Download am/vol64/AM64_563.pdf
American Mineralogist 64 (1979) 563-572
Agrellite, Na(Ca,RE)2Si4O10F: A layer structure with silicate tubes
_database_code_amcsd 0000722
7.759 18.946 6.986 89.88 116.65 94.32 P-1
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1A .99796 .21554 .99620 .853  .0165  .0093  .0090  .0000  .0072  .0025
Eu1A .99796 .21554 .99620 .147  .0165  .0093  .0090  .0000  .0072  .0025
Ca1B .54176 .28461 .01966 .978  .0142  .0076  .0083  .0003  .0066  .0018
Eu1B .54176 .28461 .01966 .022  .0142  .0076  .0083  .0003  .0066  .0018
Ca2A .45521 .72007 .48010 .993  .0133  .0085  .0089  .0001  .0071  .0021
Eu2A .45521 .72007 .48010 .007  .0133  .0085  .0089  .0001  .0071  .0021
Ca2B .00155 .78166 .50022 .985  .0194  .0101  .0124  .0014  .0108  .0027
Eu2B .00155 .78166 .50022 .015  .0194  .0101  .0124  .0014  .0108  .0027
NaA  .23539 .99102 .86794       .0151  .0287  .0286  .0005  .0080  .0029
NaB  .26104 .50234 .13576       .0139  .0370  .0331 -.0003  .0074  .0040
Si1A .20870 .93103 .35569       .0106  .0069  .0076  .0008  .0051  .0027
Si1B .30739 .56807 .65542       .0105  .0070  .0083  .0012  .0054  .0028
Si2A .48573 .87795 .21377       .0108  .0082  .0063 -.0001  .0056  .0020
Si2B .02460 .61933 .79397       .0093  .0078  .0074  .0000  .0046  .0018
Si3A .16705 .08998 .33394       .0092  .0077  .0074  .0005  .0048  .0023
Si3B .67404 .59022 .34109       .0087  .0070  .0085  .0006  .0045  .0021
Si4A .48619 .87771 .77347       .0107  .0075  .0068 -.0004  .0055  .0021
Si4B .02139 .61974 .23430       .0094  .0081  .0067  .0002  .0050  .0023
FA    .7607  .7610  .1268       .0170  .0243  .0423 -.0002  .0117  .0082
FB    .2353  .2451  .3595       .0180  .0223  .0356 -.0003  .0069  .0003
O1A   .3453  .9351  .6138       .0167  .0117  .0079  .0008  .0032  .0029
O1B   .1641  .5639  .3974       .0170  .0111  .0085  .0035  .0028  .0038
O2A   .1028  .0048  .3023       .0143  .0077  .0122  .0019  .0076  .0029
O2B   .5891  .5065  .2960       .0107  .0066  .0148  .0013  .0058  .0026
O3A   .3483  .9352  .2356       .0182  .0115  .0153  .0024  .0135  .0024
O3B   .1722  .5640  .7804       .0155  .0124  .0176  .0038  .0131  .0028
O4A   .0620  .8634  .2822       .0163  .0109  .0141 -.0014  .0096  .0011
O4B   .4543  .6355  .7256       .0136  .0098  .0106 -.0012  .0064  .0019
O5A   .3938  .7990  .1901       .0192  .0087  .0078 -.0028  .0090  .0003
O5B   .1102  .6991  .8169       .0126  .0091  .0176  .0000  .0058  .0034
O6A   .5130  .9064  .0072       .0177  .0105  .0074 -.0015  .0082  .0021
O6B   .9958  .5913  .0012       .0172  .0161  .0091 -.0005  .0084  .0003
O7A   .7013  .8924  .4117       .0140  .0210  .0107 -.0008  .0033 -.0011
O7B   .8136  .6001  .5964       .0143  .0179  .0096  .0006  .0020 -.0008
O8A   .9743  .1295  .2368       .0114  .0113  .0130  .0045  .0060  .0061
O8B   .4984  .6382  .2562       .0133  .0113  .0103  .0053  .0048  .0042
O9A   .7019  .8922  .7911       .0153  .0215  .0147  .0004  .0108  .0045
O9B   .8079  .6032  .2180       .0136  .0178  .0203  .0005  .0123  .0062
O10A  .3947  .7986  .7067       .0193  .0077  .0119  .0002  .0092  .0012
O10B  .1082  .6993  .2962       .0128  .0080  .0143 -.0024  .0060  .0012
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Agrellite
Download hom/agrellite.pdf
Rozhdestvenskaya I V, Nikishova L V
 
Crystallography Reports 43 (1998) 589-597
Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from
Yakutian charoitites: agrellite polytypes
Locality: Sirenevyi Kamen deposit, Murunskii massif, Yakutia, Russia
_database_code_amcsd 0019049
7.788 18.941 6.995 90.17 116.78 94.16 P-1
atom     x     y     z  occ Biso
Ca1A .0068 .2188 .0023  .70  1.6
Sr1A .0068 .2188 .0023  .30  1.6
Ca1B .5392 .2842 .0231  .86   .8
Na1B .5392 .2842 .0231  .14   .8
Ca2A .4491 .7203 .4754  .90  .86
Na2A .4491 .7203 .4754  .10  .86
Ca2B .9988 .7847 .4942       2.0
Si1A  .208 .9287  .375       2.2
Si1B .3073 .5660 .1560        .9
Si2A  .486 .8753  .215       1.7
Si2B .0233 .6181 .2932        .6
Si3A .8342 .9107 .6671       1.0
Si3B .6755 .5921  .834       1.6
Si4A .4866 .8793 .7673       1.5
Si4B .0255 .6209 .7285       1.5
NaA   .235 .0082  .868 1.03  2.6
NaB   .261 .5035  .628  .86  2.7
FA    .756 .7607  .131       4.0
FB    .214 .2438  .375       1.1
O1A   .359 .9384  .619        .7
O1B   .181 .5693  .902       2.4
O2A   .097 .0072  .293        .5
O2B   .403 .4960  .199       2.2
O3A   .348 .9354  .228       3.1
O3B   .162 .5647  .266        .8
O4A   .062  .865  .277        .9
O4B   .455 .6366  .225       1.9
O5A   .386 .7961  .189        .9
O5B   .100 .6954  .314        .7
O6A   .510  .906  .009       3.1
O6B   .000 .5888  .500       1.1
O7A   .698 .8925  .412       1.4
O7B   .821 .6018  .107       1.9
O8A   .021 .8722  .761       2.0
O8B   .496 .6376  .748       1.0
O9A   .703 .8930  .793        .7
O9B   .814  .596  .713       5.7
O10A  .406 .8020  .698       1.6
O1OB  .114 .7016  .785       .43
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Total number of retrieved datasets: 2
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