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