CaAlF5
Body M, Silly G, Legein C, Buzare J Y, Calvayrac F, Blaha P
Journal of Solid State Chemistry 178 (2005) 3655-3661
Structural investigations of beta-CaAlF5 by coupling powder XRD,
NMR, EPR and spectroscopic parameter calculations
Locality: synthetic
_database_code_amcsd 0018520
5.3361 9.8298 7.3271 90 109.911 90 P2_1/c
atom     x     y      z Biso
Ca   .4717 .4818  .2460  2.9
Al   .0985 .2502 -.1001  2.1
F1   .1081 .6104  .1751  3.4
F2   .8468 .3632  .3541  2.3
F3   .6273 .6277  .0603  3.7
F4   .1473 .2812  .1574  2.7
F5   .3368 .1207  .9849  3.0