Malayaite
Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G
Physics and Chemistry of Minerals 26 (1999) 546-553
An infrared spectroscopic and single-crystal X-ray study
of malayaite, CaSnSiO5
Sample: T = 730 K
Note: x-coordinate of O1 altered from the value reported
_database_code_amcsd 0008237
7.167 8.912 6.688 90 113.36 90 A2/a
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Ca     .25 .6631    .5 .0347 .06006 .01158 .01647       0 -.00181      0
Sn      .5    .5     0 .0095 .00833 .01017 .00995 -.00048  .00355 .00011
Si     3/4 .6816    .5 .0099 .01066 .00986 .00875       0  .00331      0
O1     3/4 .5864     0 .0169 .01140 .01267 .02968       0  .01129      0
O2   .9121 .5683 .6752 .0177 .02003 .01796 .01284  .00596  .00422 .00254
O3   .3722 .7122 .8915 .0158 .01954 .01373 .01686  .00544  .01018 .00187