Chloraluminite Buchanan D R, Harris P M Acta Crystallographica B24 (1968) 954-960 A neutron and X-ray diffraction investigation of aluminium chloride hexahydrate Locality: synthetic Sample: single crystal X-ray diffraction data _database_code_amcsd 0009341 11.827 11.827 11.895 90 90 120 R-3c atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Al 0 0 0 .86 .0034 .0034 .0017 .0017 0 0 Cl .2684 0 .25 1.65 .0046 .0053 .0026 .00265 -.0004 -.0008 O .1070 .1455 .0906 1.59 .0038 .0042 .0030 .0014 .0000 -.0011 H .070 .188 .145 H' .203 .197 .084