Andradite
Kingma K J, Downs J W
American Mineralogist 74 (1989) 1307-1316
Crystal-structure analysis of a birefringent andradite
_database_code_amcsd 0001281
12.048 12.048 12.048 90 90 90 I-1
atom      x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1   .1251 .0001  .2498          0.0006 0.0010 0.0009  .0001 -.0002  .0001
Ca2   .2496 .1252  .0001          0.0010 0.0007 0.0010  .0000  .0000  .0000
Ca3  -.0001 .2498  .1252          0.0008 0.0012 0.0007  .0001  .0002 -.0003
Ca4   .6250 .0001  .2501          0.0005 0.0010 0.0007 -.0002  .0003  .0000
Ca5   .2499 .6250 -.0001          0.0008 0.0005 0.0008  .0002 -.0001  .0000
Ca6   .0000 .2500  .6251          0.0009 0.0008 0.0004  .0000  .0000  .0002
Fe1       0     0      0 .88      0.0007 0.0008 0.0006 -.0001  .0000 -.0001
Fe2       0    .5     .5 .99      0.0004 0.0005 0.0009  .0003 -.0002 -.0001
Fe3      .5     0     .5 .91      0.0008 0.0006 0.0004 -.0001 -.0001  .0001
Fe4      .5    .5      0 .98      0.0004 0.0006 0.0003  .0001  .0002  .0001
Fe5     .25   .25    .25 .89      0.0007 0.0007 0.0008 -.0001 -.0002  .0000
Fe6     .25   .75    .75 .92      0.0006 0.0009 0.0003 -.0003  .0001  .0003
Fe7     .75   .25    .75 .98      0.0005 0.0006 0.0007  .0003  .0000 -.0001
Fe8     .75   .75    .25 .99      0.0008 0.0007 0.0005  .0001  .0001 -.0001
Si1   .3751 .0000  .2501          0.0004 0.0007 0.0007  .0000  .0001 -.0002
Si2   .2497 .3751 -.0001          0.0005 0.0007 0.0008  .0002  .0000 -.0003
Si3  -.0001 .2498  .3751          0.0008 0.0008 0.0005  .0001 -.0002  .0002
Si4   .8750 .0005  .2496          0.0009 0.0008 0.0008  .0000 -.0003  .0000
Si5   .2496 .8753  .0000          0.0010 0.0008 0.0005 -.0003 -.0002  .0003
Si6  -.0001 .2498  .8755          0.0005 0.0007 0.0008  .0001  .0001 -.0002
O1    .0391 .0490  .6556     0.41
O2    .5391 .4523  .3451     0.51
O3    .9604 .5493  .8446     0.38
O4    .4612 .9519  .1550     0.46
O5    .6551 .0383  .0495     0.41
O6    .1553 .4612  .9516     0.47
O7    .3450 .5393  .4516     0.55
O8    .8442 .9607  .5491     0.39
O9    .0490 .6549  .0396     0.45
O10   .5486 .8448  .9600     0.43
O11   .9507 .1555  .4607     0.50
O12   .4519 .3449  .5396     0.51
O13   .2891 .9057  .2989     0.48
O14   .7894 .5950  .7021     0.51
O15   .7101 .4058  .2010     0.53
O16   .2109 .0948  .7983     0.40
O17   .2989 .2887  .9055     0.48
O18   .7990 .2107  .0943     0.39
O19   .7013 .7900  .5946     0.53
O20   .2012 .7107  .4059     0.52
O21   .9052 .2995  .2885     0.52
O22   .4049 .2015  .7114     0.52
O23   .0943 .7991  .2107     0.47
O24   .5947 .7018  .7894     0.50