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