Werdingite
Niven M L, Waters D J, Moore J M
American Mineralogist 76 (1991) 246-256
The crystal structure of werdingite, (Mg,Fe)2Al12(Al,Fe)2Si4(B,Al)4O37, and
its relationship to sillimanite, mullite and grandidierite
_database_code_amcsd 0001344
7.995 8.152 11.406 110.45 110.85 84.66 P-1
atom      x      y      z occ  Uiso
Fe41  .6624  .1674  .0827 .21 .0073
Al41  .6624  .1674  .0827 .79 .0073
Al61      0      0      0  .5 .0053
Al62  .0068  .0020  .2564     .0044
Al63      0      0     .5  .5 .0040
Al64     .5     .5      0  .5 .0049
Al65  .5046  .4952  .2506     .0040
Al66     .5     .5     .5  .5 .0036
Al51  .1523  .3177  .7413     .0041
Al52  .2297  .6777  .3522     .0042
Fe51  .1209  .3153  .2353 .16 .0049
Mg51  .1209  .3153  .2353 .84 .0049
Si41  .6496  .1554  .3354     .0041
Si42  .3503  .8406  .1812     .0040
B31   .2256  .2706  .5019     .0059
B32   .2261  .2652 -.0048 .77 .0047
Al32  .2261  .2652 -.0048 .23 .0047
B42   .2705  .2105 -.0071 .77 .0021
Al42  .2705  .2105 -.0071 .23 .0021
O1    .0278  .5437  .2690     .0093
O2    .1579  .2009 -.1471     .0077
O3    .1615  .2037  .5752     .0064
O4    .6175  .2732  .2379     .0086
O5    .6241  .2768 -.0391     .0088
O6    .6330  .2875  .4762     .0063
O7    .6434  .5626  .1768     .0058
O8    .6403  .6034 -.0627     .0061
O9    .3613  .7080  .2620     .0064
O10   .3523  .4482  .3258     .0047
O11   .1524  .1984  .0637     .0107
O12   .1015 -.1238  .3714     .0078
O13   .1580  .2014  .3662     .0081
O14   .1525 -.0762  .1468     .0060
O15  -.1479  .0815  .3609     .0054
O16  -.0985  .1245  .1342     .0107
O17   .3497  .4052  .5655     .0057
O18   .5042 -.0061  .2692     .0106
O19A  .5905 -.0503  .0107 .25 .0108
O19B  .5167  .0003  .0050 .25 .0072