CaAl4Si2O11 Gautron L, Angel R J, Miletich R Physics and Chemistry of Minerals 27 (1999) 47-51 Structural characterisation of the high-pressure phase CaAl4Si2O11 Note: Biso values altered to agree with the anisotropic values, as indicated by Ross Angel, March 2004 _database_code_amcsd 0008275 5.4223 5.4223 12.7041 90 90 120 P6_3/mmc atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Ca 1/3 2/3 .25 1.26 .0127 .0127 .00239 .00635 0 0 AlT 2/3 1/3 .2250 .5 .91 .0070 .0070 .0023 .0035 0 0 SiM1 .5 .5 0 2/3 .79 .0086 .0086 .00134 .0043 -.00009 .00009 AlM1 .5 .5 0 1/3 .79 .0086 .0086 .00134 .0043 -.00009 .00009 AlM2 0 0 .14371 .71 .0083 .0083 .00101 .00415 0 0 O1 2/3 1/3 .0778 .88 .0094 .0094 .0015 .0047 0 0 O2 .8443 1.6886 .25 1.18 .0145 .0136 .00162 .0068 0 0 O3 .8242 1.6484 .57888 .92 .0114 .0086 .0014 .0043 .0001 .0002