Afghanite Ballirano P, Bonaccorsi E, Maras A, Merlino S European Journal of Mineralogy 9 (1997) 21-30 Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si,Al ordering _database_code_amcsd 0006636 12.8013 12.8013 21.4119 90 90 120 P31c atom x y z occ Uiso Si1 .2530 .0000 .4950 .0049 Al1 .7412 .0000 .9952 .0117 Si2 .9234 .5849 .3687 .0091 Al2 .0784 .4032 .8684 .0088 Si3 .0056 .2570 .2445 .0091 Al3 .0040 .7424 .7450 .0057 Si4 .9232 .5851 .1217 .0075 Al4 .0783 .4035 .6220 .0070 O1 .342 .333 .6773 .0254 O2 .669 .680 .1820 .0194 O3 .348 .345 .8062 .0161 O4 .663 .668 .3020 .0194 O5 .122 .887 .7462 .0147 O6 .336 .335 .4281 .0266 O7 .674 .677 .9335 .0214 O8 .3516 .3424 .0554 .0153 O9 .658 .669 .5508 .0220 O10 .121 .883 .0028 .0310 O11 .117 .887 .4947 .0217 O12 .118 .884 .2491 .0223 O13 .4580 .5465 .6257 .0293 O14 .4562 .5482 .8750 .0202 O15 .2113 .7732 .6264 .0208 O16 .2128 .7715 .8660 .0188 Ca1 0 0 0 .0175 Ca2 0 0 .2500 .0163 Ca3 1/3 2/3 .6296 .90 .0131 Ca3a 1/3 2/3 .660 .10 .0131 Ca4 1/3 2/3 .8791 .90 .0147 Ca4a 1/3 2/3 .853 .10 .0147 Cl1 0 0 .1237 .0701 Cl2 0 0 .3739 .0796 Cl3 1/3 2/3 .7527 .90 .1157 F .4018 .5995 .7452 .0334 .0500 K1 .4432 .2235 .8651 .17 .0387 Ca1 .4432 .2235 .8651 .06 .0387 Na1 .4432 .2235 .8651 .27 .0387 K1a .386 .199 .860 .17 .0387 Ca1a .386 .199 .860 .06 .0387 Na1a .386 .199 .860 .27 .0387 K2 .5054 .5014 .9912 .305 .0377 Ca2 .5054 .5014 .9912 .145 .0377 Na2 .5054 .5014 .9912 .55 .0377 K3 .5211 .4845 .7412 .015 .0399 Ca3 .5211 .4845 .7412 .008 .0399 Na3 .5211 .4845 .7412 .97 .0399 K4 .423 .210 .6238 .0666 .0341 Ca4 .423 .210 .6238 .0303 .0341 Na4 .423 .210 .6238 .41 .0341 K4a .456 .236 .6163 .06 .0341 Ca4a .456 .236 .6163 .03 .0341 Na4a .456 .236 .6163 .41 .0341 S1 1/3 2/3 .2475 .0429 S2 1/3 2/3 .4625 .0445 S3 1/3 2/3 .0301 .0532 OS1a .444 .744 .278 1/3 .0920 OS1b .400 .619 .208 1/3 .1173 OS1c .40 .64 .296 1/3 .1387 OS1d .432 .762 .214 1/3 .1895 OS2a 1/3 2/3 .5231 .1252 OS2b .211 .608 .442 .0875 OS3a .206 .587 .073 1/3 .1621 OS3b .215 .608 .042 2/3 .1251 OS3c .265 .635 .970 1/3 .1596