BaCaAlF7 Werner F, Weil M Acta Crystallographica E59 (2003) i17-i19 alpha-BaCaAlF7 _database_code_amcsd 0010396 5.3664 5.3846 18.8262 90 92.319 90 P2/n atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ba .24906 .24041 -.067757 .01162 .01257 .01309 .00916 .00207 -.00020 .00030 Ca1 .75 .20769 .75 .00786 .0084 .0073 .0078 0 -.0005 0 Ca2 .25 .68150 .75 .00703 .0064 .0077 .0070 0 .0004 0 Al .20069 .22470 .38092 .00837 .0091 .0089 .0071 .0002 .0000 .0002 F1 .5997 .5949 .56404 .0165 .0170 .0201 .0122 -.0069 -.0017 -.0016 F2 .5649 .8622 .68045 .0141 .0139 .0135 .0153 -.0004 .0054 -.0031 F3 .0901 .4812 .32626 .0133 .0129 .0121 .0146 -.0013 -.0023 .0047 F4 .4141 .3614 .69206 .0133 .0136 .0140 .0121 .0027 -.0017 -.0031 F5 .0530 .7185 .56042 .0159 .0132 .0200 .0151 .0027 .0053 -.0009 F6 .0154 -.0288 .67494 .0122 .0107 .0138 .0120 -.0022 -.0002 -.0012 F7 .2750 -.0454 .43446 .0167 .0190 .0144 .0167 .0033 .0005 .0049