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Afghanite |
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Ballirano P, Bonaccorsi E, Maras A, Merlino S |
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European Journal of Mineralogy 9 (1997) 21-30 |
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Crystal structure of afghanite, the eight-layer member |
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of the cancrinite-group: evidence for long-range Si,Al ordering |
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12.8013 12.8013 21.4119 90 90 120 P31c |
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atom x y z occ Uiso |
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Si1 .2530 .0000 .4950 .0049 |
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Al1 .7412 .0000 .9952 .0117 |
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Si2 .9234 .5849 .3687 .0091 |
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Al2 .0784 .4032 .8684 .0088 |
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Si3 .0056 .2570 .2445 .0091 |
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Al3 .0040 .7424 .7450 .0057 |
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Si4 .9232 .5851 .1217 .0075 |
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Al4 .0783 .4035 .6220 .0070 |
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O1 .342 .333 .6773 .0254 |
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O2 .669 .680 .1820 .0194 |
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O3 .348 .345 .8062 .0161 |
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O4 .663 .668 .3020 .0194 |
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O5 .122 .887 .7462 .0147 |
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O6 .336 .335 .4281 .0266 |
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O7 .674 .677 .9335 .0214 |
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O8 .3516 .3424 .0554 .0153 |
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O9 .658 .669 .5508 .0220 |
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O10 .121 .883 .0028 .0310 |
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O11 .117 .887 .4947 .0217 |
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O12 .118 .884 .2491 .0223 |
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O13 .4580 .5465 .6257 .0293 |
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O14 .4562 .5482 .8750 .0202 |
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O15 .2113 .7732 .6264 .0208 |
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O16 .2128 .7715 .8660 .0188 |
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Ca1 0 0 0 .0175 |
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Ca2 0 0 .2500 .0163 |
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Ca3 1/3 2/3 .6296 .90 .0131 |
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Ca3a 1/3 2/3 .660 .10 .0131 |
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Ca4 1/3 2/3 .8791 .90 .0147 |
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Ca4a 1/3 2/3 .853 .10 .0147 |
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Cl1 0 0 .1237 .0701 |
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Cl2 0 0 .3739 .0796 |
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Cl3 1/3 2/3 .7527 .90 .1157 |
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F .4018 .5995 .7452 .0334 .0500 |
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K1 .4432 .2235 .8651 .17 .0387 |
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Ca1 .4432 .2235 .8651 .06 .0387 |
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Na1 .4432 .2235 .8651 .27 .0387 |
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K1a .386 .199 .860 .17 .0387 |
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Ca1a .386 .199 .860 .06 .0387 |
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Na1a .386 .199 .860 .27 .0387 |
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K2 .5054 .5014 .9912 .305 .0377 |
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Ca2 .5054 .5014 .9912 .145 .0377 |
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Na2 .5054 .5014 .9912 .55 .0377 |
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K3 .5211 .4845 .7412 .015 .0399 |
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Ca3 .5211 .4845 .7412 .008 .0399 |
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Na3 .5211 .4845 .7412 .97 .0399 |
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K4 .423 .210 .6238 .0666 .0341 |
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Ca4 .423 .210 .6238 .0303 .0341 |
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Na4 .423 .210 .6238 .41 .0341 |
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K4a .456 .236 .6163 .06 .0341 |
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Ca4a .456 .236 .6163 .03 .0341 |
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Na4a .456 .236 .6163 .41 .0341 |
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S1 1/3 2/3 .2475 .0429 |
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S2 1/3 2/3 .4625 .0445 |
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S3 1/3 2/3 .0301 .0532 |
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OS1a .444 .744 .278 1/3 .0920 |
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OS1b .400 .619 .208 1/3 .1173 |
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OS1c .40 .64 .296 1/3 .1387 |
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OS1d .432 .762 .214 1/3 .1895 |
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OS2a 1/3 2/3 .5231 .1252 |
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OS2b .211 .608 .442 .0875 |
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OS3a .206 .587 .073 1/3 .1621 |
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OS3b .215 .608 .042 2/3 .1251 |
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OS3c .265 .635 .970 1/3 .1596 |
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