Lemmleinite-Ba Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N American Mineralogist 89 (2004) 1655-1666 Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure Locality: Khibiny alkaline complex, Kola peninsula, Russia _database_code_amcsd 0003655 14.2446 13.7884 7.75 90 116.709 90 Cm atom x y z Ti1 .25 .25 .5 Ti2 0 .2267 .5 Si1 .2084 .1102 .8043 Si1' -.2084 .1102 -.8043 Si2 .3210 .1111 .2511 Si2' -.3210 .1111 -.2511 O1 .0824 .1160 .6755 O1' -.0824 .1160 -.6755 O2 .1012 .2230 .3922 OH2' -.1012 .2230 -.3922 O3 .4204 .1810 .3019 O3' -.4204 .1810 -.3019 O4 .26640 .1241 .3916 O4' -.26640 .1241 -.3916 O5 .3662 0 .2712 O5' -.3662 0 -.2712 O6 .2323 .1278 .0282 O6' -.2323 .1278 -.0282 O7 .2476 0 .7867 O7' -.2476 0 -.7867 O8 .2743 .1839 .7404 O8' -.2743 .1839 -.7404 Ba(C) .0872 0 .3425 K(B) .4207 0 .7045 K'(B) -.4207 0 -.7045 Na(A) -.4134 .2629 -.0012 Wat1 -.0254 .1129 -.0059 Wat2 .4732 .1469 .0095