Cordierite
Geiger C A, Armbruster T, Khomenko V, Quartieri S
American Mineralogist 85 (2000) 1255-1264
Cordierite I: The coordination of Fe2+
Sample: 42/IA
_database_code_amcsd 0002494
17.069 9.725 9.347 90 90 90 Cccm
atom       x       y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Si21  .30750  .07774      0      .00472 .00409  .0052 -.00028      0       0
Si16       0       0    .25       .0047  .0063  .0047       0      0       0
Si23  .36487  .23734     .5      .00417  .0050  .0054 -.00073      0       0
Al26  .05089  .19218      0       .0042  .0055  .0053 -.00066      0       0
Al11     .25     .25 .25025       .0069  .0053  .0057 -.00143      0       0
MgM   .16262       0    .25 .918  .0055  .0061  .0079       0      0  .00004
FeM   .16262       0    .25 .082  .0055  .0061  .0079       0      0  .00004
NaCH0     .5       0     .5  .07 .02378 .02869 .04720  .00059      0       0
OCH1      .5       0    .25  .31
OCH2    .446       0    .25  .14
O16   .06224  .08396 .15096       .0067  .0098  .0074  -.0013  .0001   .0036
O11   .25279  .10285 .14133       .0103  .0072  .0072  -.0007  .0033  -.0009
O13   .32678  .31029 .64167       .0084  .0093  .0076  -.0014  .0017  -.0023
O21   .37769   .1844      0       .0097  .0102  .0153  -.0056      0       0
O26   .45701   .2475     .5       .0050  .0159  .0158  -.0020      0       0
O23   .33551 -.07960      0       .0132  .0049  .0161   .0029      0       0