Alloriite
Rastsvetaeva R K, Ivanova A G, Chukanov N V, Verin I A
Doklady Earth Sciences 415 (2007) 815-819
Crystal structure of alloriite
Locality: Sabatino volcanic complex, Latium, Italy
_database_code_amcsd 0012512
12.892 12.892 21.340 90 90 120 P31c
atom         x      y     z occ Biso
Si1      .2506 -.0002 .4950     1.69
Si2      .9198  .5832 .3693     1.62
Si3      .0026  .2539 .2461     1.75
Si4      .9200  .5835 .1222     1.63
Al1      .7451  .9998 .9951     1.76
Al2      .0832  .4067 .8693     1.78
Al3      .0038  .7464 .7461     1.61
Al4      .0832  .4067 .6222     1.83
O1       .6587  .0028 .1846      2.9
O2       .0012  .3295 .1858      3.2
O3       .9972  .6576 .3106      3.1
O4       .0012  .3266 .3091      3.4
O5       .2247  .1059 .2468      2.8
O6       .6690  .0162 .4313      3.3
O7       .3344  .0127 .4364      3.4
O8       .6673  .0178 .0571      2.9
O9       .3384  .0145 .0525      3.1
O10      .1147  .2354 .0076      3.8
O11      .1146  .2371 .4873      4.7
O12      .1227  .2482 .2476      4.0
O13      .5426  .4614 .1227      4.2
O14      .4593  .5422 .8717      3.7
O15      .4502  .2318 .1293      2.7
O16      .4470  .2310 .3652      3.4
Ca1a     .6667  .3334 .1400 .80 3.31
Ca1b     .6667  .3334 .1048 .20  2.2
Ca2a     .6667  .3334 .3581 .75 4.21
Ca2b     .6667  .3334 .3276 .25  4.0
Ca3          0      0 .2059 .23 4.69
K        .2174  .4341 .3732 .72 2.89
Na1      .2234  .4452 .3550 .28  1.0
Na2      .2190  .4376 .1246      2.5
Na3a     .4958  .5132 .2463 .81 2.21
Na3b      .478   .529 .2574 .19  2.8
Na4a    -.0008  .4966 .4962 .80 2.44
Na4b      .550   .487 -.008 .20  6.7
Na5          0      0 .2530 .77  4.7
Na6a         0      0 .4993 .75  4.4
Na6b         0      0  .443 .25  4.2
S1a      .3334  .6667 .4675 .80 3.80
S1b      .3334  .6667 .4847 .20  1.6
O1a.1     .214   .609 .4428 .68  3.7
O1b.1     .207   .603  .474 .32  3.7
O1.2     .6667  .3334  .046 .80  3.9
S2       .3334  .6667 .2473 .70 2.95
O2       .2132   .600 .2234 .70  3.5
S3a      .3334  .6667 .0207 .75 2.97
O3a.1    .2070  .6032 .0405     4.75
O3a.2    .6667  .3334 .4493 .61  5.1
S3b      .3334  .6667  .066 .25  2.5
O3b      .3334  .6667  .136 .25  4.2
C        .3334  .6667  .304 .31  3.9
Oc        .236   .616  .297 .30  5.3
Wat1a        0      0 .3610 .75  3.5
Wat1b        0      0  .401 .25  4.3
Wat2a        0      0 .1217 .78  4.6
Wat2b     .067   .046  .114 .22  3.6
Wat3      .611   .209  .240 .23  3.5
Cl       .6667  .3334  .240 .17 4.96